N-(1-adamantyl)-1-(4-chlorophenyl)-5-[(1-methylpiperidin-1-ium-1-yl)methoxy]pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(4-chlorophenyl)-5-[(1-methylpiperidin-1-ium-1-yl)methoxy]pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(4-chlorophenyl)-5-[(1-methylpiperidin-1-ium-1-yl)methoxy]pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-1-(4-chlorophenyl)-5-[(1-methyl-1-piperidin-1-iumyl)methoxy]-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-(4-chlorophenyl)-5-[(1-methylpiperidin-1-ium-1-yl)methoxy]pyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(4-chlorophenyl)-5-[(1-methylpiperidin-1-ium-1-yl)methoxy]pyrazole-4-carboxamide Formula: C27H36ClN4O2+ MolecularWeight: 484.05334

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)COC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[N+]1(CCCCC1)COC2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35ClN4O2/c1-32(9-3-2-4-10-32)18-34-26-24(17-29-31(26)23-7-5-22(28)6-8-23)25(33)30-27-14-19-11-20(15-27)13-21(12-19)16-27/h5-8,17,19-21H,2-4,9-16,18H2,1H3/p+1