4-[1-methyl-4-[1-methyl-1-(4-oxidanidyl-4,4-diphenyl-butyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-olate

Systemtic Name: 4-[1-methyl-4-[1-methyl-1-(4-oxidanidyl-4,4-diphenyl-butyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-olate Openeye Name: 4-[1-methyl-4-[1-methyl-1-(4-oxido-4,4-diphenyl-butyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-olate CAS Name: 4-[1-methyl-4-[1-methyl-1-(4-oxido-4,4-diphenylbutyl)-4-piperidin-1-iumyl]-1-piperidin-1-iumyl]-1,1-diphenyl-1-butanolate IUPAC Name: 4-[1-methyl-4-[1-methyl-1-(4-oxido-4,4-diphenylbutyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenylbutan-1-olate Traditional Name: 4-[1-methyl-4-[1-methyl-1-(4-oxido-4,4-diphenyl-butyl)piperidin-1-ium-4-yl]piperidin-1-ium-1-yl]-1,1-diphenyl-butan-1-olate Formula: C44H56N2O2 MolecularWeight: 644.92764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])CCCC(C5=CC=CC=C5)(C6=CC=CC=C6)[O-]

Isomeric SMILES

C[N+]1(CCC(CC1)C2CC[N+](CC2)(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)[O-])CCCC(C5=CC=CC=C5)(C6=CC=CC=C6)[O-]

InChI

InChI=1S/C44H56N2O2/c1-45(31-15-29-43(47,39-17-7-3-8-18-39)40-19-9-4-10-20-40)33-25-37(26-34-45)38-27-35-46(2,36-28-38)32-16-30-44(48,41-21-11-5-12-22-41)42-23-13-6-14-24-42/h3-14,17-24,37-38H,15-16,25-36H2,1-2H3