[4-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]phenyl] 10-methylacridin-10-ium-9-carboxylate

Systemtic Name: [4-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]phenyl] 10-methylacridin-10-ium-9-carboxylate Openeye Name: [4-[2-(2,5-dioxopyrrol-1-yl)ethyl]phenyl] 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid [4-[2-(2,5-dioxo-1-pyrrolyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(2,5-dioxopyrrol-1-yl)ethyl]phenyl] 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid [4-(2-maleimidoethyl)phenyl] ester Formula: C27H21N2O4+ MolecularWeight: 437.46664

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCN5C(=O)C=CC5=O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCN5C(=O)C=CC5=O

InChI

InChI=1S/C27H21N2O4/c1-28-22-8-4-2-6-20(22)26(21-7-3-5-9-23(21)28)27(32)33-19-12-10-18(11-13-19)16-17-29-24(30)14-15-25(29)31/h2-15H,16-17H2,1H3/q+1