(2S)-2-(azepan-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)propionamide Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C13H21N3O2/c1-10-9-12(15-18-10)14-13(17)11(2)16-7-5-3-4-6-8-16/h9,11H,3-8H2,1-2H3,(H,14,15,17)/p+1/t11-/m0/s1