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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)propyl 9H-xanthene-9-carboxylate dihydrochloride CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-(phenylmethyl)-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)propyl 9H-xanthene-9-carboxylate dihydrochloride Traditional Name: 9H-xanthene-9-carboxylic acid 3-(4-benzylpiperazino)propyl ester dihydrochloride Formula: C28H32Cl2N2O3 MolecularWeight: 515.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H30N2O3.2ClH/c31-28(27-23-11-4-6-13-25(23)33-26-14-7-5-12-24(26)27)32-20-8-15-29-16-18-30(19-17-29)21-22-9-2-1-3-10-22;;/h1-7,9-14,27H,8,15-21H2;2*1H