[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-(2-thenoyl)-4-piperidyl]methanone Formula: C28H32N3O2S+ MolecularWeight: 474.63758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H31N3O2S/c32-27(24-13-15-30(16-14-24)28(33)25-12-7-21-34-25)31-19-17-29(18-20-31)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,21,24,26H,13-20H2/p+1