(4-carboxy-5-methyl-4-naphthalen-1-yl-hexyl)-dimethyl-azanium chloride

Systemtic Name: (4-carboxy-5-methyl-4-naphthalen-1-yl-hexyl)-dimethyl-azanium chloride Openeye Name: [4-carboxy-5-methyl-4-(1-naphthyl)hexyl]-dimethyl-ammonium chloride CAS Name: [4-carboxy-5-methyl-4-(1-naphthalenyl)hexyl]-dimethylammonium chloride IUPAC Name: (4-carboxy-5-methyl-4-naphthalen-1-ylhexyl)-dimethylazanium chloride Traditional Name: [4-carboxy-5-methyl-4-(1-naphthyl)hexyl]-dimethyl-ammonium chloride Formula: C20H28ClNO2 MolecularWeight: 349.89482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2.ClH/c1-15(2)20(19(22)23,13-8-14-21(3)4)18-12-7-10-16-9-5-6-11-17(16)18;/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,22,23);1H