methyl (4S)-4-(3-methoxyphenyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(3-methoxyphenyl)-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3-methoxyphenyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-methoxyphenyl)-2-oxo-6-(1-piperidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3-methoxyphenyl)-2-oxo-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(3-methoxyphenyl)-6-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(NC(=O)N2)C[NH+]3CCCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(NC(=O)N2)C[NH+]3CCCCC3)C(=O)OC

InChI

InChI=1S/C19H25N3O4/c1-25-14-8-6-7-13(11-14)17-16(18(23)26-2)15(20-19(24)21-17)12-22-9-4-3-5-10-22/h6-8,11,17H,3-5,9-10,12H2,1-2H3,(H2,20,21,24)/p+1/t17-/m0/s1