(4-phosphonooxyphenyl) 10-methylacridin-10-ium-9-carboxylate

Systemtic Name: (4-phosphonooxyphenyl) 10-methylacridin-10-ium-9-carboxylate Openeye Name: (4-phosphonooxyphenyl) 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (4-phosphonooxyphenyl) ester IUPAC Name: (4-phosphonooxyphenyl) 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (4-phosphonooxyphenyl) ester Formula: C21H17NO6P+ MolecularWeight: 410.336541

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)OP(=O)(O)O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)OP(=O)(O)O

InChI

InChI=1S/C21H16NO6P/c1-22-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)22)21(23)27-14-10-12-15(13-11-14)28-29(24,25)26/h2-13H,1H3,(H-,24,25,26)/p+1