N-(5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)ethanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)ethanamide; 4-methylbenzenesulfonic acid Openeye Name: N-(2-allyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)acetamide; 4-methylbenzenesulfonic acid CAS Name: N-(5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)acetamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)acetamide; 4-methylbenzenesulfonic acid Traditional Name: N-(2-allyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)acetamide; tosylic acid Formula: C24H36N2O4S MolecularWeight: 448.61864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1CCC2(CN(CC=C2C1(C)C)CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC1CCC2(CN(CC=C2C1(C)C)CC=C)C

InChI

InChI=1S/C17H28N2O.C7H8O3S/c1-6-10-19-11-8-14-16(3,4)15(18-13(2)20)7-9-17(14,5)12-19;1-6-2-4-7(5-3-6)11(8,9)10/h6,8,15H,1,7,9-12H2,2-5H3,(H,18,20);2-5H,1H3,(H,8,9,10)