phenyl 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanesulfonate Openeye Name: phenyl 2-(4-benzylpiperazine-1,4-diium-1-yl)ethanesulfonate CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-benzylpiperazine-1,4-diium-1-yl)ethanesulfonate Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)ethanesulfonic acid phenyl ester Formula: C19H26N2O3S+2 MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c22-25(23,24-19-9-5-2-6-10-19)16-15-20-11-13-21(14-12-20)17-18-7-3-1-4-8-18/h1-10H,11-17H2/p+2