N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4-pyrazol-1-yl-benzamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCCCC4

InChI

InChI=1S/C22H30N4O/c27-21(19-8-10-20(11-9-19)26-17-7-14-24-26)23-18-22(12-3-1-4-13-22)25-15-5-2-6-16-25/h7-11,14,17H,1-6,12-13,15-16,18H2,(H,23,27)/p+1