2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)-1-[3-(6-propan-2-ylquinolin-8-yl)phenyl]butan-2-ol

Systemtic Name: 2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)-1-[3-(6-propan-2-ylquinolin-8-yl)phenyl]butan-2-ol Openeye Name: 1-[3-(6-isopropyl-8-quinolyl)phenyl]-2-methyl-3-(1-oxidopyridin-1-ium-4-yl)butan-2-ol CAS Name: 2-methyl-3-(1-oxido-4-pyridin-1-iumyl)-1-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-butanol IUPAC Name: 2-methyl-3-(1-oxidopyridin-1-ium-4-yl)-1-[3-(6-propan-2-ylquinolin-8-yl)phenyl]butan-2-ol Traditional Name: 1-[3-(6-isopropyl-8-quinolyl)phenyl]-2-methyl-3-(1-oxidopyridin-1-ium-4-yl)butan-2-ol Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C)(C(C)C4=CC=[N+](C=C4)[O-])O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C)(C(C)C4=CC=[N+](C=C4)[O-])O

InChI

InChI=1S/C28H30N2O2/c1-19(2)25-16-24-9-6-12-29-27(24)26(17-25)23-8-5-7-21(15-23)18-28(4,31)20(3)22-10-13-30(32)14-11-22/h5-17,19-20,31H,18H2,1-4H3