[4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-yl-heptyl]-dimethyl-azanium dichloride

Systemtic Name: [4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-yl-heptyl]-dimethyl-azanium dichloride Openeye Name: [4-carboxy-7-(dimethylammonio)-4-(1-naphthyl)heptyl]-dimethyl-ammonium dichloride CAS Name: [4-carboxy-7-(dimethylammonio)-4-(1-naphthalenyl)heptyl]-dimethylammonium dichloride IUPAC Name: [4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-ylheptyl]-dimethylazanium dichloride Traditional Name: [4-carboxy-7-(dimethylammonio)-4-(1-naphthyl)heptyl]-dimethyl-ammonium dichloride Formula: C22H34Cl2N2O2 MolecularWeight: 429.42356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2.2ClH/c1-23(2)16-8-14-22(21(25)26,15-9-17-24(3)4)20-13-7-11-18-10-5-6-12-19(18)20;;/h5-7,10-13H,8-9,14-17H2,1-4H3,(H,25,26);2*1H