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

Systemtic Name: methyl 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

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

InChI

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