ethyl (4S)-4-ethyl-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCC3=CC=CC=C3C2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC3=CC=CC=C3C2)C(=O)OCC

InChI

InChI=1S/C19H25N3O3/c1-3-15-17(18(23)25-4-2)16(21-19(24)20-15)12-22-10-9-13-7-5-6-8-14(13)11-22/h5-8,15H,3-4,9-12H2,1-2H3,(H2,20,21,24)/p+1/t15-/m0/s1