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

Systemtic Name: methyl (4S)-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4/c1-22-7-9-23(10-8-22)12-15-16(18(24)27-3)17(21-19(25)20-15)13-5-4-6-14(11-13)26-2/h4-6,11,17H,7-10,12H2,1-3H3,(H2,20,21,25)/p+1/t17-/m0/s1