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

Systemtic Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-2-keto-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C(NC(=O)N2)C3=C(C=CC(=C3)C)C)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C([C@@H](NC(=O)N2)C3=C(C=CC(=C3)C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O3/c1-13-7-9-24(10-8-13)12-17-18(20(25)27-4)19(23-21(26)22-17)16-11-14(2)5-6-15(16)3/h5-6,11,13,19H,7-10,12H2,1-4H3,(H2,22,23,26)/p+1/t19-/m0/s1