9-heptylheptadecan-9-yl-[(E)-3-phenylprop-2-enyl]azanium chloride

Systemtic Name: 9-heptylheptadecan-9-yl-[(E)-3-phenylprop-2-enyl]azanium chloride Openeye Name: [(E)-cinnamyl]-(1-heptyl-1-octyl-nonyl)ammonium chloride CAS Name: 9-heptylheptadecan-9-yl-[(E)-3-phenylprop-2-enyl]ammonium chloride IUPAC Name: 9-heptylheptadecan-9-yl-[(E)-3-phenylprop-2-enyl]azanium chloride Traditional Name: [(E)-cinnamyl]-(1-heptyl-1-octyl-nonyl)ammonium chloride Formula: C33H60ClN MolecularWeight: 506.2892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC)(CCCCCCCC)[NH2+]CC=CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCC(CCCCCCC)(CCCCCCCC)[NH2+]C/C=C/C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C33H59N.ClH/c1-4-7-10-13-16-22-29-33(28-21-15-12-9-6-3,30-23-17-14-11-8-5-2)34-31-24-27-32-25-19-18-20-26-32;/h18-20,24-27,34H,4-17,21-23,28-31H2,1-3H3;1H/b27-24+;