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

Systemtic Name: ethyl 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H26N4O4/c1-3-27-18(24)16-12-20-19(25)21-17(16)13-22-7-9-23(10-8-22)14-5-4-6-15(11-14)26-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H2,20,21,25)/p+1