N-(5-methyl-1,2-oxazol-3-yl)-2-[2-phenylmethoxyethanoyl(2-pyrrolidin-1-ium-1-ylethyl)amino]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-phenylmethoxyethanoyl(2-pyrrolidin-1-ium-1-ylethyl)amino]ethanamide Openeye Name: 2-[(2-benzyloxyacetyl)-(2-pyrrolidin-1-ium-1-ylethyl)amino]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(1-oxo-2-phenylmethoxyethyl)-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenylmethoxyacetyl)-(2-pyrrolidin-1-ium-1-ylethyl)amino]acetamide Traditional Name: 2-[(2-benzoxyacetyl)-(2-pyrrolidin-1-ium-1-ylethyl)amino]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-17-13-19(23-29-17)22-20(26)14-25(12-11-24-9-5-6-10-24)21(27)16-28-15-18-7-3-2-4-8-18/h2-4,7-8,13H,5-6,9-12,14-16H2,1H3,(H,22,23,26)/p+1