2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O3/c26-20(23-14-19-2-1-7-28-19)15-24-3-5-25(6-4-24)21(27)22-11-16-8-17(12-22)10-18(9-16)13-22/h1-2,7,16-18H,3-6,8-15H2,(H,23,26)/p+1