methyl 4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-25-19(22)17-9-7-16(8-10-17)15-20-11-13-21(14-12-20)26(23,24)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/p+1