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

Systemtic Name: 5-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[(2S)-4-methyl-2-phenyl-piperazin-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:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C18H20N4O3S/c1-21-9-10-22(17(12-21)13-5-3-2-4-6-13)26(24,25)14-7-8-15-16(11-14)20-18(23)19-15/h2-8,11,17H,9-10,12H2,1H3,(H2,19,20,23)/p+1/t17-/m1/s1