N-(1-cyanocyclohexyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CO2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CO2)C3(CCCCC3)C#N

InChI

InChI=1S/C19H26N4O3/c1-21(19(15-20)7-3-2-4-8-19)17(24)14-22-9-11-23(12-10-22)18(25)16-6-5-13-26-16/h5-6,13H,2-4,7-12,14H2,1H3/p+1