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

Systemtic Name: 1-[1-azanyl-2-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]ethanone; carbonic acid; dihydrochloride Openeye Name: 1-[1-amino-2-[4-(4-pyridyl)piperazin-1-yl]cyclohexyl]ethanone; carbonic acid; dihydrochloride CAS Name: 1-[1-amino-2-(4-pyridin-4-yl-1-piperazinyl)cyclohexyl]ethanone; carbonic acid; dihydrochloride IUPAC Name: 1-[1-amino-2-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]ethanone; carbonic acid; dihydrochloride Traditional Name: 1-[1-amino-2-[4-(4-pyridyl)piperazino]cyclohexyl]ethanone; carbonic acid; dihydrochloride Formula: C18H30Cl2N4O4 MolecularWeight: 437.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O.CH2O3.2ClH/c1-14(22)17(18)7-3-2-4-16(17)21-12-10-20(11-13-21)15-5-8-19-9-6-15;2-1(3)4;;/h5-6,8-9,16H,2-4,7,10-13,18H2,1H3;(H2,2,3,4);2*1H