5-tert-butyl-1,3-dimethyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol

Systemtic Name: 5-tert-butyl-1,3-dimethyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol Openeye Name: 5-tert-butyl-1,3-dimethyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol CAS Name: 5-tert-butyl-1,3-dimethyl-1-[2-(1-pyridin-1-iumyl)phenyl]-2H-pyridin-1-ium-2-ol IUPAC Name: 5-tert-butyl-1,3-dimethyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol Traditional Name: 5-tert-butyl-1,3-dimethyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol Formula: C22H28N2O+2 MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](C1O)(C)C2=CC=CC=C2[N+]3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C[N+](C1O)(C)C2=CC=CC=C2[N+]3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C22H28N2O/c1-17-15-18(22(2,3)4)16-24(5,21(17)25)20-12-8-7-11-19(20)23-13-9-6-10-14-23/h6-16,21,25H,1-5H3/q+2