4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C22H28ClN2O2S+ MolecularWeight: 419.98792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl)[NH+]3CCOCC3

InChI

InChI=1S/C22H27ClN2O2S/c1-22(2,25-11-13-27-14-12-25)16-24-21(26)18-5-3-17(4-6-18)15-28-20-9-7-19(23)8-10-20/h3-10H,11-16H2,1-2H3,(H,24,26)/p+1