3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride CAS Name: 1-adamantanecarboxylic acid 3-[4-(3-chlorophenyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride Traditional Name: adamantane-1-carboxylic acid 3-[4-(3-chlorophenyl)piperazino]propyl ester dihydrochloride Formula: C24H35Cl3N2O2 MolecularWeight: 489.9059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl.Cl.Cl

InChI

InChI=1S/C24H33ClN2O2.2ClH/c25-21-3-1-4-22(14-21)27-8-6-26(7-9-27)5-2-10-29-23(28)24-15-18-11-19(16-24)13-20(12-18)17-24;;/h1,3-4,14,18-20H,2,5-13,15-17H2;2*1H