phenyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanesulfonate

Systemtic Name: phenyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanesulfonate Openeye Name: phenyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanesulfonate CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanesulfonate Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C16H20N4O3S/c21-24(22,23-15-5-2-1-3-6-15)14-13-19-9-11-20(12-10-19)16-17-7-4-8-18-16/h1-8H,9-14H2/p+1