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

Systemtic Name: ethyl (4S,5S)-4-(2-methoxyphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(2-methoxyphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(2-methoxyphenyl)-6-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(2-methoxyphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-6-keto-4-(2-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N5O4+ MolecularWeight: 438.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H27N5O4/c1-3-32-22(30)19-20(16-8-4-5-9-17(16)31-2)25-23(26-21(19)29)28-14-12-27(13-15-28)18-10-6-7-11-24-18/h4-11,19-20H,3,12-15H2,1-2H3,(H,25,26,29)/p+1/t19-,20+/m0/s1