N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(2-thienyl)butyramide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O3S/c22-15(16-2-1-11-25-16)4-6-18(23)20-13-14-3-5-17(19-12-14)21-7-9-24-10-8-21/h1-3,5,11-12H,4,6-10,13H2,(H,20,23)/p+1