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

Systemtic Name: methyl 4-[[(3S)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzoic acid methyl ester Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C19H20N2O3/c1-24-19(23)14-8-6-13(7-9-14)11-21-12-16-5-3-2-4-15(16)10-17(21)18(20)22/h2-9,17H,10-12H2,1H3,(H2,20,22)/p+1/t17-/m0/s1