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

Systemtic Name: (2S)-N-(5-azanyl-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(5-amino-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(5-amino-2-methoxyphenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-methoxyphenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(5-amino-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)N)OC)[NH+]2CCSCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)N)OC)[NH+]2CCSCC2

InChI

InChI=1S/C14H21N3O2S/c1-10(17-5-7-20-8-6-17)14(18)16-12-9-11(15)3-4-13(12)19-2/h3-4,9-10H,5-8,15H2,1-2H3,(H,16,18)/p+1/t10-/m0/s1