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

Systemtic Name: ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H27N4O5+ MolecularWeight: 355.40938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C16H26N4O5/c1-4-24-14(21)13-11(3)17-15(22)18-12(13)10-19-6-8-20(9-7-19)16(23)25-5-2/h11H,4-10H2,1-3H3,(H2,17,18,22)/p+1/t11-/m0/s1