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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CCC(=O)NC2=CC=CC(=C2)N

Isomeric SMILES

C1CSCC[NH+]1CCC(=O)NC2=CC=CC(=C2)N

InChI

InChI=1S/C13H19N3OS/c14-11-2-1-3-12(10-11)15-13(17)4-5-16-6-8-18-9-7-16/h1-3,10H,4-9,14H2,(H,15,17)/p+1