Pericyclivine-N-oxide

Pericyclivine-N-oxide
Compound Structure:
Synonyms: pericyclivine-N-oxide; CHEBI:182685; methyl (1S,12S,13S,14R,15E,17S)-15-ethylidene-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Compound ID: NMPC-1394
PubChem ID:

139292135
Molecular Formula: C20H22N2O3
Canonical SMILES: CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=CC=CC=C45)C(=O)OC)[O-]
InChIKey: WYBUDADHKWEMSX-RYJPBUSGSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

338.4 g/mol

XLogP3-AA

1.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

338.16304257 g/mol

Monoisotopic Mass

338.16304257 g/mol

Topological Polar Surface Area

60.2Ų

Heavy Atom Count

25

Formal Charge

0

Complexity

620

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                    
Source Species: Phaulopsis falcisepala
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