1-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzimidazol-2-one Openeye Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-methyl-benzimidazol-2-one CAS Name: 1-methyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2-benzimidazolone IUPAC Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-methyl-benzimidazol-2-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c1-22-18-9-5-6-10-19(18)25(21(22)27)16-20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1