phenyl 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylate

Systemtic Name: phenyl 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylate Openeye Name: phenyl 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylate CAS Name: 10-methyl-2-phosphonooxy-9-acridin-10-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 10-methyl-2-phosphonooxyacridin-10-ium-9-carboxylate Traditional Name: 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylic acid phenyl 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=CC=C4)OP(=O)(O)O

Isomeric SMILES

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

InChI

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