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

Systemtic Name: 3-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H26N4O2/c28-22(26-14-9-17-5-1-2-6-18(17)15-26)16-25-12-10-19(11-13-25)27-21-8-4-3-7-20(21)24-23(27)29/h1-8,19H,9-16H2,(H,24,29)/p+1