[4-(3-azanylidene-3-methoxy-propyl)phenyl] 10-methylacridin-10-ium-9-carboxylate chloride hydrochloride

Systemtic Name: [4-(3-azanylidene-3-methoxy-propyl)phenyl] 10-methylacridin-10-ium-9-carboxylate chloride hydrochloride Openeye Name: [4-(3-imino-3-methoxy-propyl)phenyl] 10-methylacridin-10-ium-9-carboxylate chloride hydrochloride CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid [4-(3-imino-3-methoxypropyl)phenyl] ester chloride hydrochloride IUPAC Name: [4-(3-imino-3-methoxypropyl)phenyl] 10-methylacridin-10-ium-9-carboxylate chloride hydrochloride Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid [4-(3-imino-3-methoxy-propyl)phenyl] ester chloride hydrochloride Formula: C25H24Cl2N2O3 MolecularWeight: 471.37566

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(=N)OC.Cl.[Cl-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=N)OC.Cl.[Cl-]

InChI

InChI=1S/C25H23N2O3.2ClH/c1-27-21-9-5-3-7-19(21)24(20-8-4-6-10-22(20)27)25(28)30-18-14-11-17(12-15-18)13-16-23(26)29-2;;/h3-12,14-15,26H,13,16H2,1-2H3;2*1H/q+1;;/p-1