2-(2-cyanophenyl)sulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]benzamide Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C24H22N4O2S/c25-16-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)24(29)27-17-18-9-10-26-23(15-18)28-11-13-30-14-12-28/h1-10,15H,11-14,17H2,(H,27,29)/p+1