1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O/c27-21(19-16-24-26(17-19)20-10-4-1-5-11-20)23-18-22(12-6-2-7-13-22)25-14-8-3-9-15-25/h1,4-5,10-11,16-17H,2-3,6-9,12-15,18H2,(H,23,27)/p+1