[3-carboxy-5-(dimethylazaniumyl)-3-naphthalen-1-yl-pentyl]-dimethyl-azanium dichloride

Systemtic Name: [3-carboxy-5-(dimethylazaniumyl)-3-naphthalen-1-yl-pentyl]-dimethyl-azanium dichloride Openeye Name: [3-carboxy-5-(dimethylammonio)-3-(1-naphthyl)pentyl]-dimethyl-ammonium dichloride CAS Name: [3-carboxy-5-(dimethylammonio)-3-(1-naphthalenyl)pentyl]-dimethylammonium dichloride IUPAC Name: [3-carboxy-5-(dimethylazaniumyl)-3-naphthalen-1-ylpentyl]-dimethylazanium dichloride Traditional Name: [3-carboxy-5-(dimethylammonio)-3-(1-naphthyl)pentyl]-dimethyl-ammonium dichloride Formula: C20H30Cl2N2O2 MolecularWeight: 401.3704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2.2ClH/c1-21(2)14-12-20(19(23)24,13-15-22(3)4)18-11-7-9-16-8-5-6-10-17(16)18;;/h5-11H,12-15H2,1-4H3,(H,23,24);2*1H