2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide Formula: C17H26BrN2O2S+ MolecularWeight: 402.36954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC(C)(C)[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC(C)(C)[NH+]2CCOCC2

InChI

InChI=1S/C17H25BrN2O2S/c1-13-10-14(18)4-5-15(13)23-11-16(21)19-12-17(2,3)20-6-8-22-9-7-20/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,21)/p+1