(3-bromanyl-4-methoxy-phenyl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[(3-bromo-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (3-bromo-4-methoxyphenyl)methyl-methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[(3-bromo-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-(3-bromo-4-methoxy-benzyl)-methyl-ammonium Formula: C20H23BrN3O+ MolecularWeight: 401.32012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)Br)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)Br)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O/c1-23(12-17-8-9-20(25-2)19(21)10-17)13-18-11-22-24(15-18)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3/p+1