3-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide

Systemtic Name: 3-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide Openeye Name: N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-3-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-3-methyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]butanamide IUPAC Name: 3-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanamide Traditional Name: N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-3-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)butyramide Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC[NH+]1CCCC1)CC(=O)NC2=NOC=C2

Isomeric SMILES

CC(C)CC(=O)N(CC[NH+]1CCCC1)CC(=O)NC2=NOC=C2

InChI

InChI=1S/C16H26N4O3/c1-13(2)11-16(22)20(9-8-19-6-3-4-7-19)12-15(21)17-14-5-10-23-18-14/h5,10,13H,3-4,6-9,11-12H2,1-2H3,(H,17,18,21)/p+1