phenyl 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c1-17-7-5-6-10-19(17)21-13-11-20(12-14-21)15-16-25(22,23)24-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3/p+1