(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]butanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]butanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[(6-morpholinopyridin-1-ium-3-yl)amino]butanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]amino]butanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]butanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[(6-morpholinopyridin-1-ium-3-yl)amino]butyramide Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)NC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)NC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C17H23N5O3/c1-3-14(17(23)20-15-10-12(2)25-21-15)19-13-4-5-16(18-11-13)22-6-8-24-9-7-22/h4-5,10-11,14,19H,3,6-9H2,1-2H3,(H,20,21,23)/p+1/t14-/m0/s1