methyl (3R)-2-[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3R)-2-[2-(methylcarbamoylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[2-(methylcarbamoylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(methylcarbamoylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-[2-keto-2-(methylcarbamoylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C[NH+]1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CNC(=O)NC(=O)C[NH+]1CC2=CC=CC=C2C[C@@H]1C(=O)OC

InChI

InChI=1S/C15H19N3O4/c1-16-15(21)17-13(19)9-18-8-11-6-4-3-5-10(11)7-12(18)14(20)22-2/h3-6,12H,7-9H2,1-2H3,(H2,16,17,19,21)/p+1/t12-/m1/s1