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

Systemtic Name: phenyl 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanesulfonate CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-chlorobenzyl)piperazine-1,4-diium-1-yl]ethanesulfonic acid phenyl ester Formula: C19H25ClN2O3S+2 MolecularWeight: 396.9314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c20-18-8-6-17(7-9-18)16-22-12-10-21(11-13-22)14-15-26(23,24)25-19-4-2-1-3-5-19/h1-9H,10-16H2/p+2