[3-azanyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-(4-bromophenyl)methanone

Systemtic Name: [3-azanyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-(4-bromophenyl)methanone Openeye Name: [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-(4-bromophenyl)methanone CAS Name: [3-amino-4-(dimethylamino)-2-thieno[2,3-b]pyridin-7-iumyl]-(4-bromophenyl)methanone IUPAC Name: [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-(4-bromophenyl)methanone Traditional Name: [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-yl]-(4-bromophenyl)methanone Formula: C16H15BrN3OS+ MolecularWeight: 377.2788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=C(SC2=[NH+]C=C1)C(=O)C3=CC=C(C=C3)Br)N

Isomeric SMILES

CN(C)C1=C2C(=C(SC2=[NH+]C=C1)C(=O)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C16H14BrN3OS/c1-20(2)11-7-8-19-16-12(11)13(18)15(22-16)14(21)9-3-5-10(17)6-4-9/h3-8H,18H2,1-2H3/p+1