5-[(1R)-2-[9-[[2-[(R)-cyclohexyl-oxidanyl-phenyl-methyl]-1,3-oxazol-5-yl]methyl-dimethyl-azaniumyl]nonylamino]-1-oxidanyl-ethyl]-2-oxidanylidene-1H-quinolin-8-olate; methanoic acid

Systemtic Name: 5-[(1R)-2-[9-[[2-[(R)-cyclohexyl-oxidanyl-phenyl-methyl]-1,3-oxazol-5-yl]methyl-dimethyl-azaniumyl]nonylamino]-1-oxidanyl-ethyl]-2-oxidanylidene-1H-quinolin-8-olate; methanoic acid Openeye Name: 5-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenyl-methyl]oxazol-5-yl]methyl-dimethyl-ammonio]nonylamino]-1-hydroxy-ethyl]-2-oxo-1H-quinolin-8-olate; formic acid CAS Name: 5-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-5-oxazolyl]methyl-dimethylammonio]nonylamino]-1-hydroxyethyl]-2-oxo-1H-quinolin-8-olate; formic acid IUPAC Name: 5-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethylazaniumyl]nonylamino]-1-hydroxyethyl]-2-oxo-1H-quinolin-8-olate; formic acid Traditional Name: 5-[(1R)-2-[9-[[2-[(R)-cyclohexyl-hydroxy-phenyl-methyl]oxazol-5-yl]methyl-dimethyl-ammonio]nonylamino]-1-hydroxy-ethyl]-2-keto-1H-quinolin-8-olate; formic acid Formula: C41H58N4O9 MolecularWeight: 750.92062

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCNCC(C1=C2C=CC(=O)NC2=C(C=C1)[O-])O)CC3=CN=C(O3)C(C4CCCCC4)(C5=CC=CC=C5)O.C(=O)O.C(=O)O

Isomeric SMILES

C[N+](C)(CCCCCCCCCNC[C@@H](C1=C2C=CC(=O)NC2=C(C=C1)[O-])O)CC3=CN=C(O3)[C@@](C4CCCCC4)(C5=CC=CC=C5)O.C(=O)O.C(=O)O

InChI

InChI=1S/C39H54N4O5.2CH2O2/c1-43(2,28-31-26-41-38(48-31)39(47,29-16-10-8-11-17-29)30-18-12-9-13-19-30)25-15-7-5-3-4-6-14-24-40-27-35(45)32-20-22-34(44)37-33(32)21-23-36(46)42-37;2*2-1-3/h8,10-11,16-17,20-23,26,30,35,40,45,47H,3-7,9,12-15,18-19,24-25,27-28H2,1-2H3,(H-,42,44,46);2*1H,(H,2,3)/t35-,39-;;/m0../s1