[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-methylsulfanylphenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-methylsulfanylphenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(4-methylsulfanylphenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-[4-(methylthio)phenyl]ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(4-methylsulfanylphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-[4-(methylthio)phenyl]ammonium Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)[NH2+]C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H24N2OS/c1-13(16(19)18-11-5-3-4-6-12-18)17-14-7-9-15(20-2)10-8-14/h7-10,13,17H,3-6,11-12H2,1-2H3/p+1/t13-/m1/s1