(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]acridin-10-ium-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]acridin-10-ium-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 10-methyl-3-[(E)-2-(p-tolyl)vinyl]acridin-10-ium-9-carboxylate CAS Name: 10-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]acridin-10-ium-9-carboxylate Traditional Name: 10-methyl-3-[(E)-2-(p-tolyl)vinyl]acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C40H34NO4+ MolecularWeight: 592.70226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC3=[N+](C4=CC=CC=C4C(=C3C=C2)C(=O)OC5=C(C=C(C=C5C)C(=O)OCC6=CC=CC=C6)C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC3=[N+](C4=CC=CC=C4C(=C3C=C2)C(=O)OC5=C(C=C(C=C5C)C(=O)OCC6=CC=CC=C6)C)C

InChI

InChI=1S/C40H34NO4/c1-26-14-16-29(17-15-26)18-19-30-20-21-34-36(24-30)41(4)35-13-9-8-12-33(35)37(34)40(43)45-38-27(2)22-32(23-28(38)3)39(42)44-25-31-10-6-5-7-11-31/h5-24H,25H2,1-4H3/q+1/b19-18+