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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Openeye Name: 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]piperidin-1-ium IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C17H24N3+ MolecularWeight: 270.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C17H23N3/c1-13-6-7-15(10-14(13)2)17-16(11-18-19-17)12-20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,18,19)/p+1