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

Systemtic Name: phenyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN2O3S/c19-17-8-4-5-9-18(17)21-12-10-20(11-13-21)14-15-25(22,23)24-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1