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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]propyl adamantane-1-carboxylate dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)propyl adamantane-1-carboxylate dihydrochloride CAS Name: 1-adamantanecarboxylic acid 3-[4-(phenylmethyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)propyl adamantane-1-carboxylate dihydrochloride Traditional Name: adamantane-1-carboxylic acid 3-(4-benzylpiperazino)propyl ester dihydrochloride Formula: C25H38Cl2N2O2 MolecularWeight: 469.48742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C25H36N2O2.2ClH/c28-24(25-16-21-13-22(17-25)15-23(14-21)18-25)29-12-4-7-26-8-10-27(11-9-26)19-20-5-2-1-3-6-20;;/h1-3,5-6,21-23H,4,7-19H2;2*1H