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

Systemtic Name: ethyl 6-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C18H24N4O4/c1-2-26-17(24)13-11-19-18(25)20-14(13)12-21-7-9-22(10-8-21)15-5-3-4-6-16(15)23/h3-6,23H,2,7-12H2,1H3,(H2,19,20,25)/p+1