1-(7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone Openeye Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone CAS Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone IUPAC Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone Traditional Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=[N+](C=CN3)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=[N+](C=CN3)C)O)OC

InChI

InChI=1S/C17H21N3O3S/c1-11-13-9-15(23-3)14(21)8-12(13)4-6-20(11)16(22)10-24-17-18-5-7-19(17)2/h5,7-9,11,21H,4,6,10H2,1-3H3/p+1