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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

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