phenyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N2O3S/c1-17-7-6-10-20(18(17)2)22-13-11-21(12-14-22)15-16-26(23,24)25-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3/p+1