3,5-dimethyl-1-(phenylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-(phenylmethyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H36N4O/c1-20-23(21(2)29(27-20)18-22-12-6-3-7-13-22)24(30)26-19-25(14-8-4-9-15-25)28-16-10-5-11-17-28/h3,6-7,12-13H,4-5,8-11,14-19H2,1-2H3,(H,26,30)/p+1