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

Systemtic Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1-phenyl-ethanolate Openeye Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1-phenyl-ethanolate CAS Name: 1-cyclopentyl-2-[[(1R)-1-methyl-1-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1-phenylethanolate IUPAC Name: 1-cyclopentyl-2-[(1R)-1-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1-phenylethanolate Traditional Name: 1-cyclopentyl-2-keto-2-[(1R)-1-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-1-methyl-piperidin-1-ium-3-yl]oxy-1-phenyl-ethanolate Formula: C25H33N3O5 MolecularWeight: 455.54662

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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/h3-5,9-10,15,20-21H,6-8,11-14,16-17H2,1-2H3,(H,26,27,29)/t21?,25?,28-/m1/s1