dimethyl-[4-[(E)-3-phenylprop-2-enyl]hexadecyl]azanium chloride

Systemtic Name: dimethyl-[4-[(E)-3-phenylprop-2-enyl]hexadecyl]azanium chloride Openeye Name: 4-[(E)-cinnamyl]hexadecyl-dimethyl-ammonium chloride CAS Name: dimethyl-[4-[(E)-3-phenylprop-2-enyl]hexadecyl]ammonium chloride IUPAC Name: dimethyl-[4-[(E)-3-phenylprop-2-enyl]hexadecyl]azanium chloride Traditional Name: [(E)-4-lauryl-7-phenyl-hept-6-enyl]-dimethyl-ammonium chloride Formula: C27H48ClN MolecularWeight: 422.12972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC[NH+](C)C)CC=CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(CCC[NH+](C)C)C/C=C/C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H47N.ClH/c1-4-5-6-7-8-9-10-11-12-14-19-27(24-18-25-28(2)3)23-17-22-26-20-15-13-16-21-26;/h13,15-17,20-22,27H,4-12,14,18-19,23-25H2,1-3H3;1H/b22-17+;