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

Systemtic Name: methyl (4S)-4-(4-methylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methylphenyl)-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-methylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CC[NH+](CC3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)CN3CC[NH+](CC3)C)C(=O)OC

InChI

InChI=1S/C19H26N4O3/c1-13-4-6-14(7-5-13)17-16(18(24)26-3)15(20-19(25)21-17)12-23-10-8-22(2)9-11-23/h4-7,17H,8-12H2,1-3H3,(H2,20,21,25)/p+1/t17-/m0/s1