cyclooctyl-[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cyclooctyl-[(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cyclooctyl-[(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]azanium Traditional Name: cyclooctyl-[(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]ammonium Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH2+]C2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH2+]C2CCCCCCC2

InChI

InChI=1S/C18H28N2OS/c1-14(19-15-10-6-4-3-5-7-11-15)18(21)20-16-12-8-9-13-17(16)22-2/h8-9,12-15,19H,3-7,10-11H2,1-2H3,(H,20,21)/p+1/t14-/m1/s1