3-[[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine

Systemtic Name: 3-[[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Openeye Name: 3-[[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine CAS Name: 3-[[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]oxymethyl]pyridine IUPAC Name: 3-[[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Traditional Name: 3-[[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]oxymethyl]pyridine Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CN=CC=C4)C

InChI

InChI=1S/C23H28N4O/c1-17-5-6-20(12-18(17)2)23-21(14-25-26-23)15-27-10-7-22(8-11-27)28-16-19-4-3-9-24-13-19/h3-6,9,12-14,22H,7-8,10-11,15-16H2,1-2H3,(H,25,26)/p+1