3-azanyl-4-(dimethylamino)-N-(phenylmethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-4-(dimethylamino)-N-(phenylmethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-4-(dimethylamino)-N-(phenylmethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=C(SC2=[NH+]C=C1)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

CN(C)C1=C2C(=C(SC2=[NH+]C=C1)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C17H18N4OS/c1-21(2)12-8-9-19-17-13(12)14(18)15(23-17)16(22)20-10-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22)/p+1