phenyl 2,6,10-trimethyl-4-(2-phosphonooxyethylcarbamoyl)acridin-10-ium-9-carboxylate bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C3=C(C=C(C=C3C(=C2C=C1)C(=O)OC4=CC=CC=C4)C)C(=O)NCCOP(=O)(O)O)C.[Br-]

Isomeric SMILES

CC1=CC2=[N+](C3=C(C=C(C=C3C(=C2C=C1)C(=O)OC4=CC=CC=C4)C)C(=O)NCCOP(=O)(O)O)C.[Br-]

InChI

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