N-(3-morpholin-4-ium-4-ylpropyl)-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H26N2O2S/c1-14(2)22-16-7-4-3-6-15(16)17(20)18-8-5-9-19-10-12-21-13-11-19/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,18,20)/p+1