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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H25N3O/c1-15-4-7-18(12-16(15)2)21-19(14-23-24-21)13-22-11-10-17-5-8-20(25-3)9-6-17/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24)/p+1