2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanedioic acid dihydrochloride

Systemtic Name: 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanedioic acid dihydrochloride Openeye Name: 2-[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]butanedioic acid dihydrochloride CAS Name: 2-[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]butanedioic acid dihydrochloride IUPAC Name: 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]butanedioic acid dihydrochloride Traditional Name: 2-[4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]succinic acid dihydrochloride Formula: C21H33Cl2N3O5 MolecularWeight: 478.40982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)OC(CC(=O)O)C(=O)O.Cl.Cl

Isomeric SMILES

C1CNCCC1CCN2CCN(CC2)C3=CC=C(C=C3)OC(CC(=O)O)C(=O)O.Cl.Cl

InChI

InChI=1S/C21H31N3O5.2ClH/c25-20(26)15-19(21(27)28)29-18-3-1-17(2-4-18)24-13-11-23(12-14-24)10-7-16-5-8-22-9-6-16;;/h1-4,16,19,22H,5-15H2,(H,25,26)(H,27,28);2*1H