(4-bromophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (4-bromophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(4-bromophenyl)methyl]ammonium CAS Name: (4-bromophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-[(4-bromophenyl)methyl]azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(4-bromobenzyl)ammonium Formula: C20H23BrN3+ MolecularWeight: 385.32072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3/c1-15-20(13-22-12-17-8-10-19(21)11-9-17)16(2)24(23-15)14-18-6-4-3-5-7-18/h3-11,22H,12-14H2,1-2H3/p+1