2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H27N3O3/c1-14-5-2-3-6-15(14)19-17(22)13-20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h4,7,12,14-15H,2-3,5-6,8-11,13H2,1H3,(H,19,22)/p+1/t14-,15-/m0/s1