[2-bromanyl-4-(2-hydroxyethyloxy)phenyl]methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: [2-bromanyl-4-(2-hydroxyethyloxy)phenyl]methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: [2-bromo-4-(2-hydroxyethoxy)phenyl]methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [2-bromo-4-(2-hydroxyethoxy)phenyl]methyl-[[2-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: [2-bromo-4-(2-hydroxyethoxy)phenyl]methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: [2-bromo-4-(2-hydroxyethoxy)benzyl]-[2-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]CC2=C(C=C(C=C2)OCCO)Br)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]CC2=C(C=C(C=C2)OCCO)Br)CN3C=CC=N3

InChI

InChI=1S/C20H22BrN3O2/c21-20-12-19(26-11-10-25)7-6-17(20)14-22-13-16-4-1-2-5-18(16)15-24-9-3-8-23-24/h1-9,12,22,25H,10-11,13-15H2/p+1