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

Systemtic Name: ethyl 6-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-(4-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=C(C=C3)OC

Isomeric SMILES

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

InChI

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