2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C23H31N4+ MolecularWeight: 363.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CN(CC[NH+](C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CN(CC[NH+](C)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H30N4/c1-18-10-11-21(14-19(18)2)23-22(15-24-25-23)17-27(13-12-26(3)4)16-20-8-6-5-7-9-20/h5-11,14-15H,12-13,16-17H2,1-4H3,(H,24,25)/p+1