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

Systemtic Name: 1-(phenylmethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C23H32N4O/c28-22(21-16-25-27(18-21)17-20-10-4-1-5-11-20)24-19-23(12-6-2-7-13-23)26-14-8-3-9-15-26/h1,4-5,10-11,16,18H,2-3,6-9,12-15,17,19H2,(H,24,28)/p+1