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

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28ClN4O5+ MolecularWeight: 451.92382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27ClN4O5/c1-3-30-19(27)17-16(13-25-9-11-26(12-10-25)21(29)31-4-2)23-20(28)24-18(17)14-5-7-15(22)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3,(H2,23,24,28)/p+1/t18-/m0/s1