dimethyl-[(E)-2-oxidanylidene-1-phenyl-nonadec-10-enyl]azanium chloride

Systemtic Name: dimethyl-[(E)-2-oxidanylidene-1-phenyl-nonadec-10-enyl]azanium chloride Openeye Name: dimethyl-[(E)-2-oxo-1-phenyl-nonadec-10-enyl]ammonium chloride CAS Name: dimethyl-[(E)-2-oxo-1-phenylnonadec-10-enyl]ammonium chloride IUPAC Name: dimethyl-[(E)-2-oxo-1-phenylnonadec-10-enyl]azanium chloride Traditional Name: [(E)-2-keto-1-phenyl-nonadec-10-enyl]-dimethyl-ammonium chloride Formula: C27H46ClNO MolecularWeight: 436.11324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C1=CC=CC=C1)[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C1=CC=CC=C1)[NH+](C)C.[Cl-]

InChI

InChI=1S/C27H45NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(29)27(28(2)3)25-22-19-18-20-23-25;/h11-12,18-20,22-23,27H,4-10,13-17,21,24H2,1-3H3;1H/b12-11+;