(4aS,6S)-4a-(3-methoxyphenyl)-2,6-dimethyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium

Systemtic Name: (4aS,6S)-4a-(3-methoxyphenyl)-2,6-dimethyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium Openeye Name: (4aS,6S)-4a-(3-methoxyphenyl)-2,6-dimethyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium CAS Name: (4aS,6S)-4a-(3-methoxyphenyl)-2,6-dimethyl-1-(methylthio)-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium IUPAC Name: (4aS,6S)-4a-(3-methoxyphenyl)-2,6-dimethyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium Traditional Name: (4aS,6S)-4a-(3-methoxyphenyl)-2,6-dimethyl-1-(methylthio)-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium Formula: C19H26NOS+ MolecularWeight: 316.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C2C(=[N+](CCC2(C1)C3=CC(=CC=C3)OC)C)SC

Isomeric SMILES

C[C@H]1CC=C2C(=[N+](CC[C@@]2(C1)C3=CC(=CC=C3)OC)C)SC

InChI

InChI=1S/C19H26NOS/c1-14-8-9-17-18(22-4)20(2)11-10-19(17,13-14)15-6-5-7-16(12-15)21-3/h5-7,9,12,14H,8,10-11,13H2,1-4H3/q+1/t14-,19+/m0/s1