[2,6-dimethyl-4-(2-phosphonooxyethylcarbamoyl)phenyl] 10-methylacridin-10-ium-9-carboxylate bromide

Systemtic Name: [2,6-dimethyl-4-(2-phosphonooxyethylcarbamoyl)phenyl] 10-methylacridin-10-ium-9-carboxylate bromide Openeye Name: [2,6-dimethyl-4-(2-phosphonooxyethylcarbamoyl)phenyl] 10-methylacridin-10-ium-9-carboxylate bromide CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid [2,6-dimethyl-4-[oxo-(2-phosphonooxyethylamino)methyl]phenyl] ester bromide IUPAC Name: [2,6-dimethyl-4-(2-phosphonooxyethylcarbamoyl)phenyl] 10-methylacridin-10-ium-9-carboxylate bromide Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid [2,6-dimethyl-4-(2-phosphonooxyethylcarbamoyl)phenyl] ester bromide Formula: C26H26BrN2O7P MolecularWeight: 589.371601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C)C(=O)NCCOP(=O)(O)O.[Br-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C)C(=O)NCCOP(=O)(O)O.[Br-]

InChI

InChI=1S/C26H25N2O7P.BrH/c1-16-14-18(25(29)27-12-13-34-36(31,32)33)15-17(2)24(16)35-26(30)23-19-8-4-6-10-21(19)28(3)22-11-7-5-9-20(22)23;/h4-11,14-15H,12-13H2,1-3H3,(H2-,27,29,31,32,33);1H