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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-phenoxyethanoyl(2-pyrrolidin-1-ium-1-ylethyl)amino]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(2-phenoxyacetyl)-(2-pyrrolidin-1-ium-1-ylethyl)amino]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(1-oxo-2-phenoxyethyl)-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-(2-pyrrolidin-1-ium-1-ylethyl)amino]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(2-phenoxyacetyl)-(2-pyrrolidin-1-ium-1-ylethyl)amino]acetamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4/c1-16-13-18(22-28-16)21-19(25)14-24(12-11-23-9-5-6-10-23)20(26)15-27-17-7-3-2-4-8-17/h2-4,7-8,13H,5-6,9-12,14-15H2,1H3,(H,21,22,25)/p+1