(2R)-2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCCCCC2

InChI

InChI=1S/C16H24N2OS/c1-13(18-11-7-3-4-8-12-18)16(19)17-14-9-5-6-10-15(14)20-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1