7-pentyltridecan-7-yl-[(E)-3-phenylprop-2-enyl]azanium chloride

Systemtic Name: 7-pentyltridecan-7-yl-[(E)-3-phenylprop-2-enyl]azanium chloride Openeye Name: [(E)-cinnamyl]-(1-hexyl-1-pentyl-heptyl)ammonium chloride CAS Name: 7-pentyltridecan-7-yl-[(E)-3-phenylprop-2-enyl]ammonium chloride IUPAC Name: 7-pentyltridecan-7-yl-[(E)-3-phenylprop-2-enyl]azanium chloride Traditional Name: (1-amyl-1-hexyl-heptyl)-[(E)-cinnamyl]ammonium chloride Formula: C27H48ClN MolecularWeight: 422.12972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)(CCCCCC)[NH2+]CC=CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCC(CCCCC)(CCCCCC)[NH2+]C/C=C/C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H47N.ClH/c1-4-7-10-16-23-27(22-15-9-6-3,24-17-11-8-5-2)28-25-18-21-26-19-13-12-14-20-26;/h12-14,18-21,28H,4-11,15-17,22-25H2,1-3H3;1H/b21-18+;