dimethyl-[(E)-octadec-9-enoyl]-(1-phenylprop-2-enyl)azanium chloride

Systemtic Name: dimethyl-[(E)-octadec-9-enoyl]-(1-phenylprop-2-enyl)azanium chloride Openeye Name: dimethyl-[(E)-octadec-9-enoyl]-(1-phenylallyl)ammonium chloride CAS Name: dimethyl-[(E)-1-oxooctadec-9-enyl]-(1-phenylprop-2-enyl)ammonium chloride IUPAC Name: dimethyl-[(E)-octadec-9-enoyl]-(1-phenylprop-2-enyl)azanium chloride Traditional Name: dimethyl-[(E)-octadec-9-enoyl]-(1-phenylallyl)ammonium chloride Formula: C29H48ClNO MolecularWeight: 462.15052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48NO.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(31)30(3,4)28(6-2)27-24-21-20-22-25-27;/h6,13-14,20-22,24-25,28H,2,5,7-12,15-19,23,26H2,1,3-4H3;1H/q+1;/p-1/b14-13+;