(2-methylphenyl) 10-(5-oxidanylidene-5-phenylmethoxy-pentyl)acridin-10-ium-9-carboxylate iodide

Systemtic Name: (2-methylphenyl) 10-(5-oxidanylidene-5-phenylmethoxy-pentyl)acridin-10-ium-9-carboxylate iodide Openeye Name: o-tolyl 10-(5-benzyloxy-5-oxo-pentyl)acridin-10-ium-9-carboxylate iodide CAS Name: 10-(5-oxo-5-phenylmethoxypentyl)-9-acridin-10-iumcarboxylic acid (2-methylphenyl) ester iodide IUPAC Name: (2-methylphenyl) 10-(5-oxo-5-phenylmethoxypentyl)acridin-10-ium-9-carboxylate iodide Traditional Name: 10-(5-benzoxy-5-keto-pentyl)acridin-10-ium-9-carboxylic acid o-tolyl ester iodide Formula: C33H30INO4 MolecularWeight: 631.50007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCCC(=O)OCC5=CC=CC=C5.[I-]

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCCC(=O)OCC5=CC=CC=C5.[I-]

InChI

InChI=1S/C33H30NO4.HI/c1-24-13-5-10-20-30(24)38-33(36)32-26-16-6-8-18-28(26)34(29-19-9-7-17-27(29)32)22-12-11-21-31(35)37-23-25-14-3-2-4-15-25;/h2-10,13-20H,11-12,21-23H2,1H3;1H/q+1;/p-1