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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[N+]2(CCCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[N@@+]2(CCCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)C

InChI

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