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

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methyl-2-oxidanyl-acridin-10-ium-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 2-hydroxy-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 2-hydroxy-10-methyl-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-hydroxy-10-methylacridin-10-ium-9-carboxylate Traditional Name: 2-hydroxy-10-methyl-acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C31H26NO5+ MolecularWeight: 492.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)O)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)O)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H25NO5/c1-19-15-22(30(34)36-18-21-9-5-4-6-10-21)16-20(2)29(19)37-31(35)28-24-11-7-8-12-26(24)32(3)27-14-13-23(33)17-25(27)28/h4-17H,18H2,1-3H3/p+1