N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-tert-amylcyclohexyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H36N5O+ MolecularWeight: 374.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H35N5O/c1-4-21(2,3)17-6-8-18(9-7-17)24-19(27)16-25-12-14-26(15-13-25)20-22-10-5-11-23-20/h5,10-11,17-18H,4,6-9,12-16H2,1-3H3,(H,24,27)/p+1