4-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3O3S/c1-16-3-8-19(26-2)20(13-16)27(24,25)23-11-9-22(10-12-23)15-18-6-4-17(14-21)5-7-18/h3-8,13H,9-12,15H2,1-2H3/p+1