(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methyl-3-(4-phenylmethoxyphenyl)acridin-10-ium-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methyl-3-(4-phenylmethoxyphenyl)acridin-10-ium-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-(4-benzyloxyphenyl)-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 10-methyl-3-(4-phenylmethoxyphenyl)-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methyl-3-(4-phenylmethoxyphenyl)acridin-10-ium-9-carboxylate Traditional Name: 3-(4-benzoxyphenyl)-10-methyl-acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C44H36NO5+ MolecularWeight: 658.76034

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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)C5=CC=C(C=C5)OCC6=CC=CC=C6)C)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=[N+](C4=CC=CC=C42)C)C5=CC=C(C=C5)OCC6=CC=CC=C6)C)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C44H36NO5/c1-29-24-35(43(46)49-28-32-14-8-5-9-15-32)25-30(2)42(29)50-44(47)41-37-16-10-11-17-39(37)45(3)40-26-34(20-23-38(40)41)33-18-21-36(22-19-33)48-27-31-12-6-4-7-13-31/h4-26H,27-28H2,1-3H3/q+1