(1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-2-yl)methanol; 4-methylbenzenesulfonate

Systemtic Name: (1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-2-yl)methanol; 4-methylbenzenesulfonate Openeye Name: (1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-2-yl)methanol; 4-methylbenzenesulfonate CAS Name: (1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-2-yl)methanol; 4-methylbenzenesulfonate IUPAC Name: (1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-2-yl)methanol; 4-methylbenzenesulfonate Traditional Name: (1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-2-yl)methanol tosylate Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C(CCC2=CC=CC=C21)CO)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C(CCC2=CC=CC=C21)CO)C

InChI

InChI=1S/C12H18NO.C7H8O3S/c1-13(2)11(9-14)8-7-10-5-3-4-6-12(10)13;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11,14H,7-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1