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

Systemtic Name: phenyl 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C18H23N2O4S+ MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)14-15-25(22,23)24-18-4-2-1-3-5-18/h1-9,21H,10-15H2/p+1