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

Systemtic Name: ethyl 2-oxidanylidene-6-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H26N5O3+ MolecularWeight: 360.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H25N5O3/c1-2-26-17(24)15-11-20-18(25)21-16(15)13-23-9-7-22(8-10-23)12-14-5-3-4-6-19-14/h3-6H,2,7-13H2,1H3,(H2,20,21,25)/p+1