(2S)-N-(3-azanyl-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(3-azanyl-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(3-amino-2-methylphenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-amino-2-methylphenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)[NH+]2CCSCC2)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)[C@H](C)[NH+]2CCSCC2)N

InChI

InChI=1S/C14H21N3OS/c1-10-12(15)4-3-5-13(10)16-14(18)11(2)17-6-8-19-9-7-17/h3-5,11H,6-9,15H2,1-2H3,(H,16,18)/p+1/t11-/m0/s1