2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2,5-dimethyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H33N5O2/c1-15-7-19(25(2)24-15)23-20(28)14-26-3-5-27(6-4-26)21(29)22-11-16-8-17(12-22)10-18(9-16)13-22/h7,16-18H,3-6,8-14H2,1-2H3,(H,23,28)/p+1