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

Systemtic Name: methyl (4R)-4-(2,4-dimethylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(2,4-dimethylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2,4-dimethylphenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(2,4-dimethylphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2,4-dimethylphenyl)-2-keto-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H29N4O3+ MolecularWeight: 373.46926

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-13-5-6-15(14(2)11-13)18-17(19(25)27-4)16(21-20(26)22-18)12-24-9-7-23(3)8-10-24/h5-6,11,18H,7-10,12H2,1-4H3,(H2,21,22,26)/p+1/t18-/m1/s1