methyl 3-[2-[(3R)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(3R)-3-aminocarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(3R)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(3R)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3R)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3R)-3-carbamoyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)N

InChI

InChI=1S/C18H19N3O4S/c1-25-18(24)16-13(6-7-26-16)20-15(22)10-21-9-12-5-3-2-4-11(12)8-14(21)17(19)23/h2-7,14H,8-10H2,1H3,(H2,19,23)(H,20,22)/p+1/t14-/m1/s1