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

Systemtic Name: phenyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O4S/c1-24-18-9-7-17(8-10-18)21-13-11-20(12-14-21)15-16-26(22,23)25-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3/p+1