(5-bromanyl-2-methoxy-phenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(5-bromo-2-methoxy-phenyl)methyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-[(5-bromo-2-methoxyphenyl)methyl]azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(5-bromo-2-methoxy-benzyl)ammonium Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O/c1-15-20(13-23-12-18-11-19(22)9-10-21(18)26-3)16(2)25(24-15)14-17-7-5-4-6-8-17/h4-11,23H,12-14H2,1-3H3/p+1