1-[4-[1-(3,5-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid

Systemtic Name: 1-[4-[1-(3,5-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(3,5-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(3,5-dimethylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(3,5-dimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-[1-(3,5-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=CC(=CC(=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C(C)P(=O)(O)O)C

Isomeric SMILES

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

InChI

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