2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium iodide

Systemtic Name: 2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium iodide Openeye Name: 2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethyl-ammonium iodide CAS Name: 2-[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]heptyl-trimethylammonium iodide IUPAC Name: 2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethylazanium iodide Traditional Name: [(E)-2-amyl-5-(3,4-dichlorophenyl)-3-keto-pent-4-enyl]-trimethyl-ammonium iodide Formula: C19H28Cl2INO MolecularWeight: 484.24219

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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)Cl.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C19H28Cl2NO.HI/c1-5-6-7-8-16(14-22(2,3)4)19(23)12-10-15-9-11-17(20)18(21)13-15;/h9-13,16H,5-8,14H2,1-4H3;1H/q+1;/p-1/b12-10+;