[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-phenethyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-phenethylazanium Traditional Name: benzyl-phenethyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C26H28N3+ MolecularWeight: 382.52062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3/c1-21-12-14-24(15-13-21)26-25(18-27-28-26)20-29(19-23-10-6-3-7-11-23)17-16-22-8-4-2-5-9-22/h2-15,18H,16-17,19-20H2,1H3,(H,27,28)/p+1