phenyl 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-16-7-8-17(20)15-19(16)22-11-9-21(10-12-22)13-14-26(23,24)25-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3/p+1