methyl 5-[[(3S)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[(3S)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[(3S)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CC3=CC=CC=C3CC2C(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N)C(=O)OC

InChI

InChI=1S/C18H20N2O4/c1-11-7-14(24-16(11)18(22)23-2)10-20-9-13-6-4-3-5-12(13)8-15(20)17(19)21/h3-7,15H,8-10H2,1-2H3,(H2,19,21)/p+1/t15-/m0/s1