3-(1-phenylpyrazol-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(1-phenylpyrazol-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(1-phenylpyrazol-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(1-phenyl-4-pyrazolyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(1-phenylpyrazol-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(1-phenylpyrazol-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C24H34N4O/c29-23(13-12-21-18-26-28(19-21)22-10-4-1-5-11-22)25-20-24(14-6-2-7-15-24)27-16-8-3-9-17-27/h1,4-5,10-11,18-19H,2-3,6-9,12-17,20H2,(H,25,29)/p+1