[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-[2-(methylthio)anilino]-2-oxoethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C16H27N3O2S+2 MolecularWeight: 325.46948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH2+]CCC[NH+]2CCOCC2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH2+]CCC[NH+]2CCOCC2

InChI

InChI=1S/C16H25N3O2S/c1-22-15-6-3-2-5-14(15)18-16(20)13-17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20)/p+2