[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-methylsulfanylphenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-methylsulfanylphenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-methylsulfanylphenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-[3-(methylthio)phenyl]ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-methylsulfanylphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-[3-(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(=CC=C2)SC

Isomeric SMILES

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

InChI

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