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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperidin-1-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperidin-1-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperidin-1-ium Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C18H25N3/c1-13-6-8-21(9-7-13)12-17-11-19-20-18(17)16-5-4-14(2)15(3)10-16/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20)/p+1