[(2R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-yl]methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-yl]methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(2R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-1-methyl-pyrrolidin-1-ium-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(2R)-1-[2-(3-isoxazolylamino)-2-oxoethyl]-1-methyl-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-methyl-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pyrrolidin-1-ium-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(2R)-1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-1-methyl-pyrrolidin-1-ium-2-yl]methyl ester Formula: C25H34N3O5+ MolecularWeight: 456.55456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NOC=C4

Isomeric SMILES

C[N+]1(CCC[C@@H]1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CC(=O)NC4=NOC=C4

InChI

InChI=1S/C25H33N3O5/c1-28(17-23(29)26-22-14-16-33-27-22)15-8-13-21(28)18-32-24(30)25(31,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2,4-5,9-10,14,16,20-21,31H,3,6-8,11-13,15,17-18H2,1H3/p+1/t21-,25?,28?/m1/s1