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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C22H37N3O2S+2 MolecularWeight: 407.61308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2(CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2(CCCCC2)[NH+]3CCOCC3

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+2