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

Systemtic Name: (2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl)methanol; 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl)methanol; 4-methylbenzenesulfonate CAS Name: (2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl)methanol; 4-methylbenzenesulfonate IUPAC Name: (2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl)methanol; 4-methylbenzenesulfonate Traditional Name: (2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-3-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(CC2=CC=CC=C2CC1CO)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CC2=CC=CC=C2CC1CO)C

InChI

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