[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(cyclohexylmethylamino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(cyclohexylmethylamino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2CCCCC2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2CCCCC2

InChI

InChI=1S/C18H28N2OS/c1-20(13-16-8-10-17(22-2)11-9-16)14-18(21)19-12-15-6-4-3-5-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,21)/p+1