[3-(2-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-hexyl-azanium

Systemtic Name: [3-(2-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-hexyl-azanium Openeye Name: [3-(2-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-hexyl-ammonium CAS Name: [3-(2-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-hexylammonium IUPAC Name: [3-(2-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-hexylazanium Traditional Name: [3-(2-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-hexyl-ammonium Formula: C22H27ClN3+ MolecularWeight: 368.92288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3/c1-2-3-4-10-15-24-16-18-17-26(19-11-6-5-7-12-19)25-22(18)20-13-8-9-14-21(20)23/h5-9,11-14,17,24H,2-4,10,15-16H2,1H3/p+1