(2,6-dimethylphenyl) 10-[azanyl(ethyl)carbamoyl]-1-methyl-acridin-10-ium-9-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 10-[azanyl(ethyl)carbamoyl]-1-methyl-acridin-10-ium-9-carboxylate Openeye Name: (2,6-dimethylphenyl) 10-[amino(ethyl)carbamoyl]-1-methyl-acridin-10-ium-9-carboxylate CAS Name: 10-[[amino(ethyl)amino]-oxomethyl]-1-methyl-9-acridin-10-iumcarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 10-[amino(ethyl)carbamoyl]-1-methylacridin-10-ium-9-carboxylate Traditional Name: 10-[amino(ethyl)carbamoyl]-1-methyl-acridin-10-ium-9-carboxylic acid (2,6-dimethylphenyl) ester Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)[N+]1=C2C=CC=C(C2=C(C3=CC=CC=C31)C(=O)OC4=C(C=CC=C4C)C)C)N

Isomeric SMILES

CCN(C(=O)[N+]1=C2C=CC=C(C2=C(C3=CC=CC=C31)C(=O)OC4=C(C=CC=C4C)C)C)N

InChI

InChI=1S/C26H25N3O3/c1-5-28(27)26(31)29-20-14-7-6-13-19(20)23(22-16(2)10-9-15-21(22)29)25(30)32-24-17(3)11-8-12-18(24)4/h6-15,27H,5H2,1-4H3/p+1