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

Systemtic Name: methyl 3-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 3-[[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]methyl]benzoate CAS Name: 3-[[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 3-[[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-25-20(24)17-8-4-5-15(11-17)12-21-19(23)14-22-10-9-16-6-2-3-7-18(16)13-22/h2-8,11H,9-10,12-14H2,1H3,(H,21,23)/p+1