[5-(4-bromanylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-(4-bromanylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-(4-bromophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-(4-bromophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-(4-bromophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-(4-bromophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C23H25BrN5O+ MolecularWeight: 467.3815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CCCN2C=CN=C2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CCCN2C=CN=C2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H24BrN5O/c1-18-22(16-25-12-5-14-28-15-13-26-17-28)23(30-21-10-8-19(24)9-11-21)29(27-18)20-6-3-2-4-7-20/h2-4,6-11,13,15,17,25H,5,12,14,16H2,1H3/p+1