[(2-methoxy-5-methyl-phenyl)-[(2-phenylpiperidin-3-yl)amino]methyl] hydrogen sulfate hydrochloride

Systemtic Name: [(2-methoxy-5-methyl-phenyl)-[(2-phenylpiperidin-3-yl)amino]methyl] hydrogen sulfate hydrochloride Openeye Name: [(2-methoxy-5-methyl-phenyl)-[(2-phenyl-3-piperidyl)amino]methyl] hydrogen sulfate hydrochloride CAS Name: sulfuric acid [(2-methoxy-5-methylphenyl)-[(2-phenyl-3-piperidinyl)amino]methyl] ester hydrochloride IUPAC Name: [(2-methoxy-5-methylphenyl)-[(2-phenylpiperidin-3-yl)amino]methyl] hydrogen sulfate hydrochloride Traditional Name: sulfuric acid [(2-methoxy-5-methyl-phenyl)-[(2-phenyl-3-piperidyl)amino]methyl] ester hydrochloride Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(NC2CCCNC2C3=CC=CC=C3)OS(=O)(=O)O.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(NC2CCCNC2C3=CC=CC=C3)OS(=O)(=O)O.Cl

InChI

InChI=1S/C20H26N2O5S.ClH/c1-14-10-11-18(26-2)16(13-14)20(27-28(23,24)25)22-17-9-6-12-21-19(17)15-7-4-3-5-8-15;/h3-5,7-8,10-11,13,17,19-22H,6,9,12H2,1-2H3,(H,23,24,25);1H