2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium Openeye Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethyl-ammonium CAS Name: 2-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]heptyl-trimethylammonium IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethylazanium Traditional Name: [(E)-2-amyl-5-(4-chlorophenyl)-3-keto-pent-4-enyl]-trimethyl-ammonium Formula: C19H29ClNO+ MolecularWeight: 322.89266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](C)(C)C)C(=O)C=CC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCCC(C[N+](C)(C)C)C(=O)/C=C/C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H29ClNO/c1-5-6-7-8-17(15-21(2,3)4)19(22)14-11-16-9-12-18(20)13-10-16/h9-14,17H,5-8,15H2,1-4H3/q+1/b14-11+