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

Systemtic Name: ethyl (6R)-6-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-2-oxidanylidene-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(4-hydroxy-3-methoxy-phenyl)-3-methyl-2-oxo-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(4-hydroxy-3-methoxyphenyl)-3-methyl-2-oxo-4-(1-piperidin-1-iumylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(4-hydroxy-3-methoxyphenyl)-3-methyl-2-oxo-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(4-hydroxy-3-methoxy-phenyl)-2-keto-3-methyl-4-(piperidin-1-ium-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-4-29-20(26)18-15(13-24-10-6-5-7-11-24)23(2)21(27)22-19(18)14-8-9-16(25)17(12-14)28-3/h8-9,12,19,25H,4-7,10-11,13H2,1-3H3,(H,22,27)/p+1/t19-/m1/s1