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

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-isopropoxypropyl)ammonium Formula: C22H27ClN3O+ MolecularWeight: 384.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O/c1-17(2)27-14-6-13-24-15-19-16-26(21-7-4-3-5-8-21)25-22(19)18-9-11-20(23)12-10-18/h3-5,7-12,16-17,24H,6,13-15H2,1-2H3/p+1