(5S)-1-(pyridin-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-(pyridin-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-1-(2-pyridylmethyl)-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]piperidin-2-one CAS Name: (5S)-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-(2-pyridinylmethyl)-2-piperidinone IUPAC Name: (5S)-1-(pyridin-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-2-one Traditional Name: (5S)-1-(2-pyridylmethyl)-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]-2-piperidone Formula: C21H27N4O2S+ MolecularWeight: 399.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CC[NH+](CC2)CC3=CC=CS3)CC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)N2CC[NH+](CC2)CC3=CC=CS3)CC4=CC=CC=N4

InChI

InChI=1S/C21H26N4O2S/c26-20-7-6-17(14-25(20)15-18-4-1-2-8-22-18)21(27)24-11-9-23(10-12-24)16-19-5-3-13-28-19/h1-5,8,13,17H,6-7,9-12,14-16H2/p+1/t17-/m0/s1