1-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O5/c1-19-16-23(28-34-19)27-24(30)18-29(2)15-9-14-22(17-29)33-25(31)26(32,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3,5-6,10-11,16,21-22H,4,7-9,12-15,17-18H2,1-2H3,(H,27,28,30)/t22?,26?,29-/m1/s1