[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-ethoxypropyl)azanium

Systemtic Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-(3-ethoxypropyl)ammonium Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOCCC[NH2+]CC1=CN(N=C1C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26ClN3O2/c1-3-28-14-6-13-24-15-17-16-26(18-9-11-19(27-2)12-10-18)25-22(17)20-7-4-5-8-21(20)23/h4-5,7-12,16,24H,3,6,13-15H2,1-2H3/p+1