N-(1-adamantyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]acetamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(N=C(O5)C6=CC=CO6)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(N=C(O5)C6=CC=CO6)C#N

InChI

InChI=1S/C24H29N5O3/c25-14-19-23(32-22(26-19)20-2-1-7-31-20)29-5-3-28(4-6-29)15-21(30)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-2,7,16-18H,3-6,8-13,15H2,(H,27,30)/p+1