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

Systemtic Name: 3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Openeye Name: 3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-[3-(1-azocanyl)propyl]-1-piperazinyl]propyl ester dihydrochloride IUPAC Name: 3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate dihydrochloride Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-[3-(azocan-1-yl)propyl]piperazino]propyl ester dihydrochloride Formula: C31H45Cl2N3O3 MolecularWeight: 578.6133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CCCN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl.Cl

Isomeric SMILES

C1CCCN(CCC1)CCCN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl.Cl

InChI

InChI=1S/C31H43N3O3.2ClH/c35-31(30-26-12-4-6-14-28(26)37-29-15-7-5-13-27(29)30)36-25-11-20-34-23-21-33(22-24-34)19-10-18-32-16-8-2-1-3-9-17-32;;/h4-7,12-15,30H,1-3,8-11,16-25H2;2*1H