4-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C20H23N3O4S/c1-26-19-8-7-18(13-20(19)27-2)28(24,25)23-11-9-22(10-12-23)15-17-5-3-16(14-21)4-6-17/h3-8,13H,9-12,15H2,1-2H3/p+1