N-[2-[1-(2-adamantyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[1-(2-adamantyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-(2-adamantyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-(2-adamantyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-(2-adamantyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-(2-adamantyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H36N4O/c1-23(2,3)22(28)25-20-4-7-24-27(20)19-5-8-26(9-6-19)21-17-11-15-10-16(13-17)14-18(21)12-15/h4,7,15-19,21H,5-6,8-14H2,1-3H3,(H,25,28)/p+1