2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)benzamide Formula: C24H38N3O3S+ MolecularWeight: 448.64182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C24H37N3O3S/c1-24(2,27-12-14-30-15-13-27)18-26-23(29)20-10-6-7-11-21(20)31-17-22(28)25-16-19-8-4-3-5-9-19/h6-7,10-11,19H,3-5,8-9,12-18H2,1-2H3,(H,25,28)(H,26,29)/p+1