1,3,5-trimethyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzimidazol-2-one

Systemtic Name: 1,3,5-trimethyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzimidazol-2-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3,6-trimethyl-benzimidazol-2-one CAS Name: 1,3,5-trimethyl-6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-benzimidazolone IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3,6-trimethylbenzimidazol-2-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3,6-trimethyl-benzimidazol-2-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)N(C(=O)N2C)C

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)N(C(=O)N2C)C

InChI

InChI=1S/C21H26N4O3S/c1-16-13-18-19(23(3)21(26)22(18)2)14-20(16)29(27,28)25-11-9-24(10-12-25)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3/p+1