1-methyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)butanoylamino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: 1-methyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)butanoylamino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: 1-methyl-4-[4-[4-(4-pyridyl)piperazin-1-yl]butanoylamino]cyclohexanecarboxylate dihydrochloride CAS Name: 1-methyl-4-[[1-oxo-4-(4-pyridin-4-yl-1-piperazinyl)butyl]amino]-1-cyclohexanecarboxylate dihydrochloride IUPAC Name: 1-methyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)butanoylamino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 1-methyl-4-[4-[4-(4-pyridyl)piperazino]butanoylamino]cyclohexanecarboxylate dihydrochloride Formula: C21H33Cl2N4O3- MolecularWeight: 460.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)NC(=O)CCCN2CCN(CC2)C3=CC=NC=C3)C(=O)[O-].Cl.Cl

Isomeric SMILES

CC1(CCC(CC1)NC(=O)CCCN2CCN(CC2)C3=CC=NC=C3)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C21H32N4O3.2ClH/c1-21(20(27)28)8-4-17(5-9-21)23-19(26)3-2-12-24-13-15-25(16-14-24)18-6-10-22-11-7-18;;/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3,(H,23,26)(H,27,28);2*1H/p-1