dinaphthalen-2-yl-[(1R,2S)-1-oxidanidyl-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]methanol; propan-2-ol; titanium

Systemtic Name: dinaphthalen-2-yl-[(1R,2S)-1-oxidanidyl-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]methanol; propan-2-ol; titanium Openeye Name: bis(2-naphthyl)-[(1R,2S)-1-oxido-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-yl]methanol; propan-2-ol; titanium CAS Name: bis(2-naphthalenyl)-[(1R,2S)-1-oxido-1-(2-pyridinylmethyl)-2-pyrrolidin-1-iumyl]methanol; 2-propanol; titanium IUPAC Name: dinaphthalen-2-yl-[(1R,2S)-1-oxido-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]methanol; propan-2-ol; titanium Traditional Name: bis(2-naphthyl)-[(1R,2S)-1-oxido-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-yl]methanol; propan-2-ol; titanium Formula: C40H52N2O5Ti MolecularWeight: 688.71828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)O.C1CC([N+](C1)(CC2=CC=CC=N2)[O-])C(C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)O.C1C[C@H]([N@@+](C1)(CC2=CC=CC=N2)[O-])C(C3=CC4=CC=CC=C4C=C3)(C5=CC6=CC=CC=C6C=C5)O.[Ti]

InChI

InChI=1S/C31H28N2O2.3C3H8O.Ti/c34-31(27-16-14-23-8-1-3-10-25(23)20-27,28-17-15-24-9-2-4-11-26(24)21-28)30-13-7-19-33(30,35)22-29-12-5-6-18-32-29;3*1-3(2)4;/h1-6,8-12,14-18,20-21,30,34H,7,13,19,22H2;3*3-4H,1-2H3;/t30-,33+;;;;/m0..../s1