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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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