2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; 4-methylbenzenesulfonate Openeye Name: 2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; 4-methylbenzenesulfonate CAS Name: 2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; 4-methylbenzenesulfonate IUPAC Name: 2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; 4-methylbenzenesulfonate Traditional Name: 2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium tosylate Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC2=CC=CC=C2C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC2=CC=CC=C2C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H18N.C7H8O3S/c1-3-13(2)9-8-11-6-4-5-7-12(11)10-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3,8-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1