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

Systemtic Name: ethyl (4S)-2-oxidanylidene-4-phenyl-6-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-2-oxo-4-phenyl-6-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-2-oxo-4-phenyl-6-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-oxo-4-phenyl-6-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-phenyl-6-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H30N5O3+ MolecularWeight: 436.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H29N5O3/c1-2-32-23(30)21-20(26-24(31)27-22(21)18-8-4-3-5-9-18)17-29-14-12-28(13-15-29)16-19-10-6-7-11-25-19/h3-11,22H,2,12-17H2,1H3,(H2,26,27,31)/p+1/t22-/m0/s1