ethyl (6S)-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H33N4O5+ MolecularWeight: 445.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H32N4O5/c1-4-27-18(16-25-12-14-26(15-13-25)23(30)32-6-3)19(21(28)31-5-2)20(24-22(27)29)17-10-8-7-9-11-17/h7-11,20H,4-6,12-16H2,1-3H3,(H,24,29)/p+1/t20-/m0/s1