(2R)-N-(1-adamantyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H31N3O3/c1-15(24-4-6-25(7-5-24)21(27)19-3-2-8-28-19)20(26)23-22-12-16-9-17(13-22)11-18(10-16)14-22/h2-3,8,15-18H,4-7,9-14H2,1H3,(H,23,26)/p+1/t15-,16?,17?,18?,22?/m1/s1