3-azanyl-N-(4-methoxyphenyl)-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-methoxyphenyl)-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(4-methoxyphenyl)-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(4-methoxyphenyl)-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(4-methoxyphenyl)-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)OC)N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)OC)N)C

InChI

InChI=1S/C17H17N3O2S/c1-9-8-10(2)19-17-13(9)14(18)15(23-17)16(21)20-11-4-6-12(22-3)7-5-11/h4-8H,18H2,1-3H3,(H,20,21)/p+1