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

Systemtic Name: 3-azanyl-N-(4-bromanyl-3-chloranyl-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(4-bromo-3-chloro-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(4-bromo-3-chlorophenyl)-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(4-bromo-3-chlorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(4-bromo-3-chloro-phenyl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H16BrClN3O2S+ MolecularWeight: 441.74984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Br)Cl)N

Isomeric SMILES

CC1=[NH+]C2=C(C(=C1)COC)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Br)Cl)N

InChI

InChI=1S/C17H15BrClN3O2S/c1-8-5-9(7-24-2)13-14(20)15(25-17(13)21-8)16(23)22-10-3-4-11(18)12(19)6-10/h3-6H,7,20H2,1-2H3,(H,22,23)/p+1