ethyl (4R,5R)-4-(4-methylphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R,5R)-4-(4-methylphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5R)-6-oxo-4-(p-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(4-methylphenyl)-6-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R)-4-(4-methylphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5R)-6-keto-4-(p-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N5O3/c1-3-31-22(30)19-20(17-9-7-16(2)8-10-17)25-23(26-21(19)29)28-14-12-27(13-15-28)18-6-4-5-11-24-18/h4-11,19-20H,3,12-15H2,1-2H3,(H,25,26,29)/p+1/t19-,20+/m1/s1