2-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C21H25Cl2N4+ MolecularWeight: 404.356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H24Cl2N4/c1-26(2)10-11-27(14-16-6-4-3-5-7-16)15-17-13-24-25-21(17)19-9-8-18(22)12-20(19)23/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,24,25)/p+1