(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-yl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-yl) ester IUPAC Name: (1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-yl) ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3CCCN(C3C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3CCCN(C3C2)C

InChI

InChI=1S/C17H25NO3S/c1-13-5-9-16(10-6-13)22(19,20)21-15-8-7-14-4-3-11-18(2)17(14)12-15/h5-6,9-10,14-15,17H,3-4,7-8,11-12H2,1-2H3