1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-3-12-25-20-6-4-5-7-21(20)26(22(25)27)17-23-13-15-24(16-14-23)31(28,29)19-10-8-18(30-2)9-11-19/h4-11H,3,12-17H2,1-2H3/p+1