1-azanyl-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide

Systemtic Name: 1-azanyl-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C21H21F3N3O3S+ MolecularWeight: 452.46995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)C(F)(F)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)C(F)(F)F)N)OC

InChI

InChI=1S/C21H20F3N3O3S/c1-29-13-8-7-10(9-14(13)30-2)26-19(28)17-16(25)15-11-5-3-4-6-12(11)18(21(22,23)24)27-20(15)31-17/h7-9H,3-6,25H2,1-2H3,(H,26,28)/p+1