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

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]acridin-10-ium-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 2-[(E)-2-(4-benzyloxyphenyl)vinyl]-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 10-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methyl-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]acridin-10-ium-9-carboxylate Traditional Name: 2-[(E)-2-(4-benzoxyphenyl)vinyl]-10-methyl-acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C46H38NO5+ MolecularWeight: 684.79762

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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)C=CC5=CC=C(C=C5)OCC6=CC=CC=C6)C)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

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

InChI

InChI=1S/C46H38NO5/c1-31-26-37(45(48)51-30-36-14-8-5-9-15-36)27-32(2)44(31)52-46(49)43-39-16-10-11-17-41(39)47(3)42-25-22-34(28-40(42)43)19-18-33-20-23-38(24-21-33)50-29-35-12-6-4-7-13-35/h4-28H,29-30H2,1-3H3/q+1/b19-18+