(3-cyano-6-methyl-3-naphthalen-2-yl-hept-5-enyl)-dimethyl-azanium chloride

Systemtic Name: (3-cyano-6-methyl-3-naphthalen-2-yl-hept-5-enyl)-dimethyl-azanium chloride Openeye Name: [3-cyano-6-methyl-3-(2-naphthyl)hept-5-enyl]-dimethyl-ammonium chloride CAS Name: [3-cyano-6-methyl-3-(2-naphthalenyl)hept-5-enyl]-dimethylammonium chloride IUPAC Name: (3-cyano-6-methyl-3-naphthalen-2-ylhept-5-enyl)-dimethylazanium chloride Traditional Name: [3-cyano-6-methyl-3-(2-naphthyl)hept-5-enyl]-dimethyl-ammonium chloride Formula: C21H27ClN2 MolecularWeight: 342.90548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC[NH+](C)C)(C#N)C1=CC2=CC=CC=C2C=C1)C.[Cl-]

Isomeric SMILES

CC(=CCC(CC[NH+](C)C)(C#N)C1=CC2=CC=CC=C2C=C1)C.[Cl-]

InChI

InChI=1S/C21H26N2.ClH/c1-17(2)11-12-21(16-22,13-14-23(3)4)20-10-9-18-7-5-6-8-19(18)15-20;/h5-11,15H,12-14H2,1-4H3;1H