dimethyl-[(Z)-octadec-9-enoyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[(Z)-octadec-9-enoyl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[(Z)-octadec-9-enoyl]ammonium CAS Name: dimethyl-[(Z)-1-oxooctadec-9-enyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[(Z)-octadec-9-enoyl]azanium Traditional Name: benzyl-dimethyl-[(Z)-octadec-9-enoyl]ammonium Formula: C27H46NO+ MolecularWeight: 400.66024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C27H46NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)28(2,3)25-26-22-19-18-20-23-26/h11-12,18-20,22-23H,4-10,13-17,21,24-25H2,1-3H3/q+1/b12-11-