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

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-piperidin-1-ium-1-yl-propionamide Formula: C12H20N3O2+ MolecularWeight: 238.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C12H19N3O2/c1-9-8-11(14-17-9)13-12(16)10(2)15-6-4-3-5-7-15/h8,10H,3-7H2,1-2H3,(H,13,14,16)/p+1/t10-/m0/s1