1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-N,N-diethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-N,N-diethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-4-carboxamide Formula: C28H37N4O+ MolecularWeight: 445.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H36N4O/c1-5-31(6-2)28(33)24-14-16-30(17-15-24)19-25-20-32(26-18-21(3)12-13-22(26)4)29-27(25)23-10-8-7-9-11-23/h7-13,18,20,24H,5-6,14-17,19H2,1-4H3/p+1