(2S)-N-[4-azanyl-2,6-bis(chloranyl)phenyl]-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-[4-azanyl-2,6-bis(chloranyl)phenyl]-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(4-amino-2,6-dichloro-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(4-amino-2,6-dichlorophenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-amino-2,6-dichlorophenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(4-amino-2,6-dichloro-phenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C13H18Cl2N3OS+ MolecularWeight: 335.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1Cl)N)Cl)[NH+]2CCSCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1Cl)N)Cl)[NH+]2CCSCC2

InChI

InChI=1S/C13H17Cl2N3OS/c1-8(18-2-4-20-5-3-18)13(19)17-12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3,(H,17,19)/p+1/t8-/m0/s1