N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-(2-thienyl)butanamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-(2-thienyl)butyramide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)CCCC2=CC=CS2

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C16H21N3OS/c1-19(2)16-13(6-4-10-17-16)12-18-15(20)9-3-7-14-8-5-11-21-14/h4-6,8,10-11H,3,7,9,12H2,1-2H3,(H,18,20)/p+1