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

Systemtic Name: (4aS,6S)-2-ethyl-4a-(3-methoxyphenyl)-6-methyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium Openeye Name: (4aS,6S)-2-ethyl-4a-(3-methoxyphenyl)-6-methyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium CAS Name: (4aS,6S)-2-ethyl-4a-(3-methoxyphenyl)-6-methyl-1-(methylthio)-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium IUPAC Name: (4aS,6S)-2-ethyl-4a-(3-methoxyphenyl)-6-methyl-1-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium Traditional Name: (4aS,6S)-2-ethyl-4a-(3-methoxyphenyl)-6-methyl-1-(methylthio)-4,5,6,7-tetrahydro-3H-isoquinolin-2-ium Formula: C20H28NOS+ MolecularWeight: 330.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CCC(CC2(CC1)C3=CC(=CC=C3)OC)C)SC

Isomeric SMILES

CC[N+]1=C(C2=CC[C@@H](C[C@]2(CC1)C3=CC(=CC=C3)OC)C)SC

InChI

InChI=1S/C20H28NOS/c1-5-21-12-11-20(16-7-6-8-17(13-16)22-3)14-15(2)9-10-18(20)19(21)23-4/h6-8,10,13,15H,5,9,11-12,14H2,1-4H3/q+1/t15-,20+/m0/s1