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

Systemtic Name: 1-[4-[1-(2,4,6-trimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(2,4,6-trimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(2,4,6-trimethylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(2,4,6-trimethylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-(1-mesitylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]ethylphosphonic acid Formula: C21H25N2O3P+2 MolecularWeight: 384.408561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2O3P/c1-15-13-16(2)21(17(3)14-15)23-11-7-20(8-12-23)19-5-9-22(10-6-19)18(4)27(24,25)26/h5-14,18H,1-4H3/p+2