(4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: (4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4S)-N-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4S)-N-(4-chlorophenyl)-6-keto-2-(4-methylpiperazin-4-ium-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C16H21ClN5O2+ MolecularWeight: 350.82324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(CC(=O)N2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=N[C@@H](CC(=O)N2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN5O2/c1-21-6-8-22(9-7-21)16-19-13(10-14(23)20-16)15(24)18-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H,18,24)(H,19,20,23)/p+1/t13-/m0/s1