1-[4-[1-(1-phosphonoethyl)quinolin-1-ium-4-yl]quinolin-1-ium-1-yl]ethylphosphonic acid

Systemtic Name: 1-[4-[1-(1-phosphonoethyl)quinolin-1-ium-4-yl]quinolin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(1-phosphonoethyl)quinolin-1-ium-4-yl]quinolin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(1-phosphonoethyl)-4-quinolin-1-iumyl]-1-quinolin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(1-phosphonoethyl)quinolin-1-ium-4-yl]quinolin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-[1-(1-phosphonoethyl)quinolin-1-ium-4-yl]quinolin-1-ium-1-yl]ethylphosphonic acid Formula: C22H24N2O6P2+2 MolecularWeight: 474.383282

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=CC=C(C2=CC=CC=C21)C3=CC=[N+](C4=CC=CC=C34)C(C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC([N+]1=CC=C(C2=CC=CC=C21)C3=CC=[N+](C4=CC=CC=C34)C(C)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C22H22N2O6P2/c1-15(31(25,26)27)23-13-11-17(19-7-3-5-9-21(19)23)18-12-14-24(16(2)32(28,29)30)22-10-6-4-8-20(18)22/h3-16H,1-2H3,(H2-2,25,26,27,28,29,30)/p+2