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

Systemtic Name: 3-azanyl-N-(4-ethoxyphenyl)-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(4-ethoxyphenyl)-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(4-ethoxyphenyl)-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-4,6-dimethyl-N-p-phenetyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

InChI

InChI=1S/C18H19N3O2S/c1-4-23-13-7-5-12(6-8-13)21-17(22)16-15(19)14-10(2)9-11(3)20-18(14)24-16/h5-9H,4,19H2,1-3H3,(H,21,22)/p+1