methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C22H36N3O2S+ MolecularWeight: 406.60514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H35N3O2S/c1-24(16-19-6-8-20(28-2)9-7-19)17-21(26)23-18-22(10-4-3-5-11-22)25-12-14-27-15-13-25/h6-9H,3-5,10-18H2,1-2H3,(H,23,26)/p+1