cyclohexane; [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-yl-propyl] hydrogen sulfate

Systemtic Name: cyclohexane; [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-yl-propyl] hydrogen sulfate Openeye Name: cyclohexane; [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-pyridyl)propyl] hydrogen sulfate CAS Name: cyclohexane; sulfuric acid [3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(2-pyridinyl)propyl] ester IUPAC Name: cyclohexane; [3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylpropyl] hydrogen sulfate Traditional Name: cyclohexane; sulfuric acid [3-[4-(2-methoxyphenyl)piperazino]-1-(2-pyridyl)propyl] ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=N3)OS(=O)(=O)O.C1CCCCC1

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=N3)OS(=O)(=O)O.C1CCCCC1

InChI

InChI=1S/C19H25N3O5S.C6H12/c1-26-19-8-3-2-7-17(19)22-14-12-21(13-15-22)11-9-18(27-28(23,24)25)16-6-4-5-10-20-16;1-2-4-6-5-3-1/h2-8,10,18H,9,11-15H2,1H3,(H,23,24,25);1-6H2