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

Systemtic Name: 3-[1-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-keto-2-(1H-pyrrol-2-yl)ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)C4=CC=CN4

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)C4=CC=CN4

InChI

InChI=1S/C18H20N4O2/c23-17(15-5-3-9-19-15)12-21-10-7-13(8-11-21)22-16-6-2-1-4-14(16)20-18(22)24/h1-6,9,13,19H,7-8,10-12H2,(H,20,24)/p+1