[(1R,2R)-1-oxidanidyl-1-(quinolin-2-ylmethyl)pyrrolidin-1-ium-2-yl]-diphenyl-methanol; propan-2-ol; titanium

Systemtic Name: [(1R,2R)-1-oxidanidyl-1-(quinolin-2-ylmethyl)pyrrolidin-1-ium-2-yl]-diphenyl-methanol; propan-2-ol; titanium Openeye Name: [(1R,2R)-1-oxido-1-(2-quinolylmethyl)pyrrolidin-1-ium-2-yl]-diphenyl-methanol; propan-2-ol; titanium CAS Name: [(1R,2R)-1-oxido-1-(2-quinolinylmethyl)-2-pyrrolidin-1-iumyl]-diphenylmethanol; 2-propanol; titanium IUPAC Name: [(1R,2R)-1-oxido-1-(quinolin-2-ylmethyl)pyrrolidin-1-ium-2-yl]-diphenylmethanol; propan-2-ol; titanium Traditional Name: [(1R,2R)-1-oxido-1-(2-quinolylmethyl)pyrrolidin-1-ium-2-yl]-diphenyl-methanol; propan-2-ol; titanium Formula: C36H50N2O5Ti MolecularWeight: 638.6596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)O.C1CC([N+](C1)(CC2=NC3=CC=CC=C3C=C2)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)O.C1C[C@@H]([N@@+](C1)(CC2=NC3=CC=CC=C3C=C2)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Ti]

InChI

InChI=1S/C27H26N2O2.3C3H8O.Ti/c30-27(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26-16-9-19-29(26,31)20-24-18-17-21-10-7-8-15-25(21)28-24;3*1-3(2)4;/h1-8,10-15,17-18,26,30H,9,16,19-20H2;3*3-4H,1-2H3;/t26-,29-;;;;/m1..../s1