[4-[3-(methylaminomethylamino)-3-oxidanylidene-propyl]phenyl] 10-methylacridin-10-ium-9-carboxylate

Systemtic Name: [4-[3-(methylaminomethylamino)-3-oxidanylidene-propyl]phenyl] 10-methylacridin-10-ium-9-carboxylate Openeye Name: [4-[3-(methylaminomethylamino)-3-oxo-propyl]phenyl] 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid [4-[3-(methylaminomethylamino)-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-(methylaminomethylamino)-3-oxopropyl]phenyl] 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid [4-[3-keto-3-(methylaminomethylamino)propyl]phenyl] ester Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

CNCNC(=O)CCC1=CC=C(C=C1)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C

Isomeric SMILES

CNCNC(=O)CCC1=CC=C(C=C1)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C

InChI

InChI=1S/C26H25N3O3/c1-27-17-28-24(30)16-13-18-11-14-19(15-12-18)32-26(31)25-20-7-3-5-9-22(20)29(2)23-10-6-4-8-21(23)25/h3-12,14-15,27H,13,16-17H2,1-2H3/p+1