1-(7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone Openeye Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone CAS Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]ethanone IUPAC Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone Traditional Name: 1-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]ethanone Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=[N+](C=NN3)C)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C(=O)CSC3=[N+](C=NN3)C)O)OC

InChI

InChI=1S/C16H20N4O3S/c1-10-12-7-14(23-3)13(21)6-11(12)4-5-20(10)15(22)8-24-16-18-17-9-19(16)2/h6-7,9-10,21H,4-5,8H2,1-3H3/p+1