(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) 4-methylbenzenesulfonate hydrochloride

Systemtic Name: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) 4-methylbenzenesulfonate hydrochloride Openeye Name: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) 4-methylbenzenesulfonate hydrochloride CAS Name: 4-methylbenzenesulfonic acid (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) ester hydrochloride IUPAC Name: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) 4-methylbenzenesulfonate hydrochloride Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) ester hydrochloride Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC=C2C3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC=C2C3=CC=CC=C3)C.Cl

InChI

InChI=1S/C19H21NO3S.ClH/c1-15-8-10-17(11-9-15)24(21,22)23-19-14-20(2)13-12-18(19)16-6-4-3-5-7-16;/h3-12,19H,13-14H2,1-2H3;1H