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

Systemtic Name: methyl (4S)-4-(4-chlorophenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-chlorophenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-chlorophenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H24ClN4O3+ MolecularWeight: 379.86116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C([C@@H](NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H23ClN4O3/c1-22-7-9-23(10-8-22)11-14-15(17(24)26-2)16(21-18(25)20-14)12-3-5-13(19)6-4-12/h3-6,16H,7-11H2,1-2H3,(H2,20,21,25)/p+1/t16-/m0/s1