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

Systemtic Name: phenyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanesulfonate Openeye Name: phenyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanesulfonate CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanesulfonate Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanesulfonic acid phenyl ester Formula: C17H23N3O3S+2 MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N3O3S/c21-24(22,23-16-6-2-1-3-7-16)15-14-19-10-12-20(13-11-19)17-8-4-5-9-18-17/h1-9H,10-15H2/p+2