2-(2-cyanophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)[NH+]3CCOCC3

InChI

InChI=1S/C22H25N3O2S/c1-22(2,25-11-13-27-14-12-25)16-24-21(26)18-8-4-6-10-20(18)28-19-9-5-3-7-17(19)15-23/h3-10H,11-14,16H2,1-2H3,(H,24,26)/p+1