3-chloranyl-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(dimethylamino)-4-pyridin-1-iumyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(dimethylamino)pyridin-1-ium-4-yl]methyl]benzothiophene-2-carboxamide Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=CC(=C1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN(C)C1=[NH+]C=CC(=C1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-21(2)14-9-11(7-8-19-14)10-20-17(22)16-15(18)12-5-3-4-6-13(12)23-16/h3-9H,10H2,1-2H3,(H,20,22)/p+1