phenyl 2-methoxy-5-methyl-benzo[b]acridin-5-ium-12-carboxylate

Systemtic Name: phenyl 2-methoxy-5-methyl-benzo[b]acridin-5-ium-12-carboxylate Openeye Name: phenyl 2-methoxy-5-methyl-benzo[b]acridin-5-ium-12-carboxylate CAS Name: 2-methoxy-5-methyl-12-benzo[b]acridin-5-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 2-methoxy-5-methylbenzo[b]acridin-5-ium-12-carboxylate Traditional Name: 2-methoxy-5-methyl-benz[b]acridin-5-ium-12-carboxylic acid phenyl ester Formula: C26H20NO3+ MolecularWeight: 394.4419

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=C(C3=CC4=CC=CC=C4C=C31)C(=O)OC5=CC=CC=C5)OC

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=C(C3=CC4=CC=CC=C4C=C31)C(=O)OC5=CC=CC=C5)OC

InChI

InChI=1S/C26H20NO3/c1-27-23-13-12-20(29-2)16-22(23)25(26(28)30-19-10-4-3-5-11-19)21-14-17-8-6-7-9-18(17)15-24(21)27/h3-16H,1-2H3/q+1