3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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