2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylethylazanium

Systemtic Name: 2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylethylazanium Openeye Name: 2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylethylammonium CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]ethylammonium IUPAC Name: 2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylethylazanium Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]ethylammonium Formula: C11H23N2OS+ MolecularWeight: 231.37812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SCC[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SCC[NH3+]

InChI

InChI=1S/C11H22N2OS/c1-10(15-9-6-12)11(14)13-7-4-2-3-5-8-13/h10H,2-9,12H2,1H3/p+1/t10-/m0/s1