1-[1-azanyl-2-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]pentan-1-one; carbonic acid; dihydrochloride

Systemtic Name: 1-[1-azanyl-2-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]pentan-1-one; carbonic acid; dihydrochloride Openeye Name: 1-[1-amino-2-[4-(4-pyridyl)piperazin-1-yl]cyclohexyl]pentan-1-one; carbonic acid; dihydrochloride CAS Name: 1-[1-amino-2-(4-pyridin-4-yl-1-piperazinyl)cyclohexyl]-1-pentanone; carbonic acid; dihydrochloride IUPAC Name: 1-[1-amino-2-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]pentan-1-one; carbonic acid; dihydrochloride Traditional Name: 1-[1-amino-2-[4-(4-pyridyl)piperazino]cyclohexyl]pentan-1-one; carbonic acid; dihydrochloride Formula: C21H36Cl2N4O4 MolecularWeight: 479.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1(CCCCC1N2CCN(CC2)C3=CC=NC=C3)N.C(=O)(O)O.Cl.Cl

Isomeric SMILES

CCCCC(=O)C1(CCCCC1N2CCN(CC2)C3=CC=NC=C3)N.C(=O)(O)O.Cl.Cl

InChI

InChI=1S/C20H32N4O.CH2O3.2ClH/c1-2-3-7-19(25)20(21)10-5-4-6-18(20)24-15-13-23(14-16-24)17-8-11-22-12-9-17;2-1(3)4;;/h8-9,11-12,18H,2-7,10,13-16,21H2,1H3;(H2,2,3,4);2*1H