3-azanyl-N-(2-fluoranyl-5-methyl-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-(2-fluoranyl-5-methyl-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(2-fluoro-5-methyl-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(2-fluoro-5-methylphenyl)-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(2-fluoro-5-methylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(2-fluoro-5-methyl-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C18H19FN3O2S+ MolecularWeight: 360.425763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3COC)C)N

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3COC)C)N

InChI

InChI=1S/C18H18FN3O2S/c1-9-4-5-12(19)13(6-9)22-17(23)16-15(20)14-11(8-24-3)7-10(2)21-18(14)25-16/h4-7H,8,20H2,1-3H3,(H,22,23)/p+1