methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-[(2-morpholinophenyl)methyl]ammonium CAS Name: methyl-[2-[3-(methylthio)anilino]-2-oxoethyl]-[[2-(4-morpholinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(3-methylsulfanylanilino)-2-oxoethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-[3-(methylthio)anilino]ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3O2S/c1-23(16-21(25)22-18-7-5-8-19(14-18)27-2)15-17-6-3-4-9-20(17)24-10-12-26-13-11-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1