1-(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl)-2,7-dimethoxy-10-methyl-acridin-10-ium-9-carboxylic acid

Systemtic Name: 1-(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl)-2,7-dimethoxy-10-methyl-acridin-10-ium-9-carboxylic acid Openeye Name: 1-(4-benzyloxycarbonyl-2,6-dimethyl-phenyl)-2,7-dimethoxy-10-methyl-acridin-10-ium-9-carboxylic acid CAS Name: 1-(2,6-dimethyl-4-phenylmethoxycarbonylphenyl)-2,7-dimethoxy-10-methyl-9-acridin-10-iumcarboxylic acid IUPAC Name: 1-(2,6-dimethyl-4-phenylmethoxycarbonylphenyl)-2,7-dimethoxy-10-methylacridin-10-ium-9-carboxylic acid Traditional Name: 1-(4-carbobenzoxy-2,6-dimethyl-phenyl)-2,7-dimethoxy-10-methyl-acridin-10-ium-9-carboxylic acid Formula: C33H30NO6+ MolecularWeight: 536.5944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C=CC3=C2C(=C4C=C(C=CC4=[N+]3C)OC)C(=O)O)OC)C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C=CC3=C2C(=C4C=C(C=CC4=[N+]3C)OC)C(=O)O)OC)C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H29NO6/c1-19-15-22(33(37)40-18-21-9-7-6-8-10-21)16-20(2)28(19)31-27(39-5)14-13-26-30(31)29(32(35)36)24-17-23(38-4)11-12-25(24)34(26)3/h6-17H,18H2,1-5H3/p+1