1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-propyl-benzimidazol-2-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O3S/c1-2-12-24-19-10-6-7-11-20(19)25(21(24)26)17-22-13-15-23(16-14-22)29(27,28)18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/p+1