methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[(4-tosylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-16-3-9-19(10-4-16)27(24,25)22-13-11-21(12-14-22)15-17-5-7-18(8-6-17)20(23)26-2/h3-10H,11-15H2,1-2H3/p+1