[(E)-octadec-9-enoyl]-(2-phenylpropan-2-yl)azanium chloride

Systemtic Name: [(E)-octadec-9-enoyl]-(2-phenylpropan-2-yl)azanium chloride Openeye Name: (1-methyl-1-phenyl-ethyl)-[(E)-octadec-9-enoyl]ammonium chloride CAS Name: [(E)-1-oxooctadec-9-enyl]-(2-phenylpropan-2-yl)ammonium chloride IUPAC Name: [(E)-octadec-9-enoyl]-(2-phenylpropan-2-yl)azanium chloride Traditional Name: cumyl-[(E)-octadec-9-enoyl]ammonium chloride Formula: C27H46ClNO MolecularWeight: 436.11324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[NH2+]C(C)(C)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[NH2+]C(C)(C)C1=CC=CC=C1.[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)28-27(2,3)25-22-19-18-20-23-25;/h11-12,18-20,22-23H,4-10,13-17,21,24H2,1-3H3,(H,28,29);1H/b12-11+;