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

Systemtic Name: diethyl-[(E)-2-oxidanylidene-1-phenyl-nonadec-10-enyl]azanium chloride Openeye Name: diethyl-[(E)-2-oxo-1-phenyl-nonadec-10-enyl]ammonium chloride CAS Name: diethyl-[(E)-2-oxo-1-phenylnonadec-10-enyl]ammonium chloride IUPAC Name: diethyl-[(E)-2-oxo-1-phenylnonadec-10-enyl]azanium chloride Traditional Name: diethyl-[(E)-2-keto-1-phenyl-nonadec-10-enyl]ammonium chloride Formula: C29H50ClNO MolecularWeight: 464.1664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(31)29(30(5-2)6-3)27-24-21-20-22-25-27;/h13-14,20-22,24-25,29H,4-12,15-19,23,26H2,1-3H3;1H/b14-13+;