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

Systemtic Name: 1,3-dimethyl-5-nonyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol Openeye Name: 1,3-dimethyl-5-nonyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol CAS Name: 1,3-dimethyl-5-nonyl-1-[2-(1-pyridin-1-iumyl)phenyl]-2H-pyridin-1-ium-2-ol IUPAC Name: 1,3-dimethyl-5-nonyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol Traditional Name: 1,3-dimethyl-5-nonyl-1-(2-pyridin-1-ium-1-ylphenyl)-2H-pyridin-1-ium-2-ol Formula: C27H38N2O+2 MolecularWeight: 406.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C[N+](C(C(=C1)C)O)(C)C2=CC=CC=C2[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1=C[N+](C(C(=C1)C)O)(C)C2=CC=CC=C2[N+]3=CC=CC=C3

InChI

InChI=1S/C27H38N2O/c1-4-5-6-7-8-9-11-16-24-21-23(2)27(30)29(3,22-24)26-18-13-12-17-25(26)28-19-14-10-15-20-28/h10,12-15,17-22,27,30H,4-9,11,16H2,1-3H3/q+2