1-[4-[1-(2,6-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid

Systemtic Name: 1-[4-[1-(2,6-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(2,6-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(2,6-dimethylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(2,6-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-[1-(2,6-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Formula: C20H23N2O3P+2 MolecularWeight: 370.381981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C(C)P(=O)(O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C(C)P(=O)(O)O

InChI

InChI=1S/C20H21N2O3P/c1-15-5-4-6-16(2)20(15)22-13-9-19(10-14-22)18-7-11-21(12-8-18)17(3)26(23,24)25/h4-14,17H,1-3H3/p+2