[(3R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(3R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3R)-1-methyl-1-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(3R)-1-methyl-1-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C25H34N3O5+ MolecularWeight: 456.55456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[N+]2(CCC(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[N+]2(CC[C@H](C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C25H33N3O5/c1-18-15-22(27-33-18)26-23(29)17-28(2)14-13-21(16-28)32-24(30)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3,5-6,9-10,15,20-21,31H,4,7-8,11-14,16-17H2,1-2H3/p+1/t21-,25?,28?/m1/s1