(2S)-N-(5-azanyl-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(5-amino-2-methylphenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-methylphenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)C(C)[NH+]2CCSCC2

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)[C@H](C)[NH+]2CCSCC2

InChI

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