3-[1-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C23H28N5O3S+ MolecularWeight: 454.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H27N5O3S/c29-21(26-11-13-27(14-12-26)22(30)20-6-3-15-32-20)16-25-9-7-17(8-10-25)28-19-5-2-1-4-18(19)24-23(28)31/h1-6,15,17H,7-14,16H2,(H,24,31)/p+1