(3-azanyl-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(3,4-dimethoxyphenyl)methanone

Systemtic Name: (3-azanyl-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(3,4-dimethoxyphenyl)methanone Openeye Name: (3-amino-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(3,4-dimethoxyphenyl)methanone CAS Name: (3-amino-6-phenyl-2-thieno[2,3-b]pyridin-7-iumyl)-(3,4-dimethoxyphenyl)methanone IUPAC Name: (3-amino-6-phenylthieno[2,3-b]pyridin-7-ium-2-yl)-(3,4-dimethoxyphenyl)methanone Traditional Name: (3-amino-6-phenyl-thieno[2,3-b]pyridin-7-ium-2-yl)-(3,4-dimethoxyphenyl)methanone Formula: C22H19N2O3S+ MolecularWeight: 391.46286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C=C3)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C=C3)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C22H18N2O3S/c1-26-17-11-8-14(12-18(17)27-2)20(25)21-19(23)15-9-10-16(24-22(15)28-21)13-6-4-3-5-7-13/h3-12H,23H2,1-2H3/p+1