ethyl (6R)-3-methyl-2-oxidanylidene-6-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3-methyl-2-oxidanylidene-6-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-methyl-2-oxo-6-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-methyl-2-oxo-6-phenyl-4-(1-piperidin-1-iumylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-methyl-2-oxo-6-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-2-keto-3-methyl-6-phenyl-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2)C)C[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O3/c1-3-26-19(24)17-16(14-23-12-8-5-9-13-23)22(2)20(25)21-18(17)15-10-6-4-7-11-15/h4,6-7,10-11,18H,3,5,8-9,12-14H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1