3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride

Systemtic Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Openeye Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-(3,4-dichlorophenyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-(3,4-dichlorophenyl)piperazino]propyl ester dihydrochloride Formula: C27H28Cl4N2O3 MolecularWeight: 570.33482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC(=C(C=C5)Cl)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC(=C(C=C5)Cl)Cl.Cl.Cl

InChI

InChI=1S/C27H26Cl2N2O3.2ClH/c28-22-11-10-19(18-23(22)29)31-15-13-30(14-16-31)12-5-17-33-27(32)26-20-6-1-3-8-24(20)34-25-9-4-2-7-21(25)26;;/h1-4,6-11,18,26H,5,12-17H2;2*1H