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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H25N3/c1-14-7-8-16(11-15(14)2)18-17(12-19-20-18)13-21-9-5-3-4-6-10-21/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,19,20)/p+1