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

Systemtic Name: 7-methoxy-1-methyl-2-[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinolin-6-olate Openeye Name: 7-methoxy-1-methyl-2-[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinolin-6-olate CAS Name: 7-methoxy-1-methyl-2-[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-olate IUPAC Name: 7-methoxy-1-methyl-2-[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinolin-6-olate Traditional Name: 7-methoxy-1-methyl-2-[2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]acetyl]-3,4-dihydro-1H-isoquinolin-6-olate Formula: C16H20N4O3S MolecularWeight: 348.42

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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