(2S)-N-(3-aminophenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3OS/c1-10(16-5-7-18-8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)/p+1/t10-/m0/s1