2-(3-methylimidazol-3-ium-1-yl)ethyl 6-azanyl-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-azanyl-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-4H-pyran-3-carboxylic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C21H23N4O5+ MolecularWeight: 411.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)O)OC)C(=O)OCCN3C=C[N+](=C3)C

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)O)OC)C(=O)OCCN3C=C[N+](=C3)C

InChI

InChI=1S/C21H22N4O5/c1-13-18(21(27)29-9-8-25-7-6-24(2)12-25)19(15(11-22)20(23)30-13)14-4-5-16(26)17(10-14)28-3/h4-7,10,12,19H,8-9,23H2,1-3H3/p+1