ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCC(=CC2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC(=CC2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H27N3O3/c1-3-17-19(20(25)27-4-2)18(23-21(26)22-17)14-24-12-10-16(11-13-24)15-8-6-5-7-9-15/h5-10,17H,3-4,11-14H2,1-2H3,(H2,22,23,26)/p+1/t17-/m0/s1