(5-carboxy-6-methyl-5-naphthalen-1-yl-heptyl)-dimethyl-azanium chloride

Systemtic Name: (5-carboxy-6-methyl-5-naphthalen-1-yl-heptyl)-dimethyl-azanium chloride Openeye Name: [5-carboxy-6-methyl-5-(1-naphthyl)heptyl]-dimethyl-ammonium chloride CAS Name: [5-carboxy-6-methyl-5-(1-naphthalenyl)heptyl]-dimethylammonium chloride IUPAC Name: (5-carboxy-6-methyl-5-naphthalen-1-ylheptyl)-dimethylazanium chloride Traditional Name: [5-carboxy-6-methyl-5-(1-naphthyl)heptyl]-dimethyl-ammonium chloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC[NH+](C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O.[Cl-]

Isomeric SMILES

CC(C)C(CCCC[NH+](C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O.[Cl-]

InChI

InChI=1S/C21H29NO2.ClH/c1-16(2)21(20(23)24,14-7-8-15-22(3)4)19-13-9-11-17-10-5-6-12-18(17)19;/h5-6,9-13,16H,7-8,14-15H2,1-4H3,(H,23,24);1H