methyl 2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H20N2O3/c1-24-19(23)16-8-4-5-9-17(16)20-18(22)13-21-11-10-14-6-2-3-7-15(14)12-21/h2-9H,10-13H2,1H3,(H,20,22)/p+1