5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C18H20N4O3S/c23-18-19-16-7-6-15(12-17(16)20-18)26(24,25)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,19,20,23)/p+1