[4-carboxy-7-(diethylazaniumyl)-4-naphthalen-1-yl-heptyl]-diethyl-azanium dichloride

Systemtic Name: [4-carboxy-7-(diethylazaniumyl)-4-naphthalen-1-yl-heptyl]-diethyl-azanium dichloride Openeye Name: [4-carboxy-7-(diethylammonio)-4-(1-naphthyl)heptyl]-diethyl-ammonium dichloride CAS Name: [4-carboxy-7-(diethylammonio)-4-(1-naphthalenyl)heptyl]-diethylammonium dichloride IUPAC Name: [4-carboxy-7-(diethylazaniumyl)-4-naphthalen-1-ylheptyl]-diethylazanium dichloride Traditional Name: [4-carboxy-7-(diethylammonio)-4-(1-naphthyl)heptyl]-diethyl-ammonium dichloride Formula: C26H42Cl2N2O2 MolecularWeight: 485.52988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O2.2ClH/c1-5-27(6-2)20-12-18-26(25(29)30,19-13-21-28(7-3)8-4)24-17-11-15-22-14-9-10-16-23(22)24;;/h9-11,14-17H,5-8,12-13,18-21H2,1-4H3,(H,29,30);2*1H