methyl 3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4-(4-methoxyphenyl)-6-phenyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C22H19N2O3S+ MolecularWeight: 391.46286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C3=C2C(=C(S3)C(=O)OC)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C3=C2C(=C(S3)C(=O)OC)N)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-26-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)24-21-18(16)19(23)20(28-21)22(25)27-2/h3-12H,23H2,1-2H3/p+1