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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C24H30N3+ MolecularWeight: 360.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3/c1-18-8-9-22(14-19(18)2)24-23(16-25-26-24)17-27-12-10-21(11-13-27)15-20-6-4-3-5-7-20/h3-9,14,16,21H,10-13,15,17H2,1-2H3,(H,25,26)/p+1