4-[4-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol dichloride

Systemtic Name: 4-[4-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol dichloride Openeye Name: 4-[4-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol dichloride CAS Name: 4-[4-(1-methyl-4-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1,1-diphenyl-1-butanol dichloride IUPAC Name: 4-[4-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-1-yl]-1,1-diphenylbutan-1-ol dichloride Traditional Name: 4-[4-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-ol dichloride Formula: C27H40Cl2N2O MolecularWeight: 479.5253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2CC[NH+](CC2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)C2CC[NH+](CC2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-].[Cl-]

InChI

InChI=1S/C27H38N2O.2ClH/c1-28-19-13-23(14-20-28)24-15-21-29(22-16-24)18-8-17-27(30,25-9-4-2-5-10-25)26-11-6-3-7-12-26;;/h2-7,9-12,23-24,30H,8,13-22H2,1H3;2*1H