N,N-diethyl-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-diethyl-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-diethyl-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-diethyl-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N,N-diethyl-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]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)C)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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