4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)butyramide Formula: C27H38N4O2+2 MolecularWeight: 450.61622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c32-25(28-15-18-29-16-7-8-17-29)13-14-26(33)30-19-21-31(22-20-30)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-12,27H,7-8,13-22H2,(H,28,32)/p+2