2-naphthalen-1-yl-4-piperidin-1-ium-1-yl-2-(2-piperidin-1-ium-1-ylethyl)butanoic acid dichloride

Systemtic Name: 2-naphthalen-1-yl-4-piperidin-1-ium-1-yl-2-(2-piperidin-1-ium-1-ylethyl)butanoic acid dichloride Openeye Name: 2-(1-naphthyl)-4-piperidin-1-ium-1-yl-2-(2-piperidin-1-ium-1-ylethyl)butanoic acid dichloride CAS Name: 2-(1-naphthalenyl)-4-(1-piperidin-1-iumyl)-2-[2-(1-piperidin-1-iumyl)ethyl]butanoic acid dichloride IUPAC Name: 2-naphthalen-1-yl-4-piperidin-1-ium-1-yl-2-(2-piperidin-1-ium-1-ylethyl)butanoic acid dichloride Traditional Name: 2-(1-naphthyl)-4-piperidin-1-ium-1-yl-2-(2-piperidin-1-ium-1-ylethyl)butyric acid dichloride Formula: C26H38Cl2N2O2 MolecularWeight: 481.49812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(CC[NH+]2CCCCC2)(C3=CC=CC4=CC=CC=C43)C(=O)O.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(CC[NH+]2CCCCC2)(C3=CC=CC4=CC=CC=C43)C(=O)O.[Cl-].[Cl-]

InChI

InChI=1S/C26H36N2O2.2ClH/c29-25(30)26(14-20-27-16-5-1-6-17-27,15-21-28-18-7-2-8-19-28)24-13-9-11-22-10-3-4-12-23(22)24;;/h3-4,9-13H,1-2,5-8,14-21H2,(H,29,30);2*1H