[4-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]phenyl] 10-methylacridin-10-ium-9-carboxylate

Systemtic Name: [4-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]phenyl] 10-methylacridin-10-ium-9-carboxylate Openeye Name: [4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-propyl]phenyl] 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid [4-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid [4-(3-keto-3-succinimidooxy-propyl)phenyl] ester Formula: C28H23N2O6+ MolecularWeight: 483.49202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O

InChI

InChI=1S/C28H23N2O6/c1-29-22-8-4-2-6-20(22)27(21-7-3-5-9-23(21)29)28(34)35-19-13-10-18(11-14-19)12-17-26(33)36-30-24(31)15-16-25(30)32/h2-11,13-14H,12,15-17H2,1H3/q+1