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

Systemtic Name: 3-[1-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(1H-indol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-(1H-indol-3-yl)-2-oxoethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-(1H-indol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O2/c27-21(17-13-23-18-6-2-1-5-16(17)18)14-25-11-9-15(10-12-25)26-20-8-4-3-7-19(20)24-22(26)28/h1-8,13,15,23H,9-12,14H2,(H,24,28)/p+1