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

Systemtic Name: phenyl 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanesulfonate CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanesulfonate Traditional Name: 2-(4-p-anisylpiperazine-1,4-diium-1-yl)ethanesulfonic acid phenyl ester Formula: C20H28N2O4S+2 MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-25-19-9-7-18(8-10-19)17-22-13-11-21(12-14-22)15-16-27(23,24)26-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3/p+2