methyl (3R)-2-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H18N2O6/c1-26-19(24)16-10-14-4-2-3-5-15(14)11-21(16)17(22)12-27-18(23)13-6-8-20(25)9-7-13/h2-9,16H,10-12H2,1H3/t16-/m1/s1