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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-thiophen-2-ylcarbonyl-benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(thiophene-2-carbonyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-[oxo(thiophen-2-yl)methyl]benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(thiophene-2-carbonyl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2-thenoyl)benzamide Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O3S/c26-21(19-6-3-13-29-19)17-4-1-2-5-18(17)22(27)24-15-16-7-8-20(23-14-16)25-9-11-28-12-10-25/h1-8,13-14H,9-12,15H2,(H,24,27)/p+1