4-bromanyl-3-[3-(5-methoxy-2-oxidanyl-phenyl)phenyl]-1-methyl-pyrazol-1-ium-1-carboxamide

Systemtic Name: 4-bromanyl-3-[3-(5-methoxy-2-oxidanyl-phenyl)phenyl]-1-methyl-pyrazol-1-ium-1-carboxamide Openeye Name: 4-bromo-3-[3-(2-hydroxy-5-methoxy-phenyl)phenyl]-1-methyl-pyrazol-1-ium-1-carboxamide CAS Name: 4-bromo-3-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-1-methyl-1-pyrazol-1-iumcarboxamide IUPAC Name: 4-bromo-3-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-1-methylpyrazol-1-ium-1-carboxamide Traditional Name: 4-bromo-3-[3-(2-hydroxy-5-methoxy-phenyl)phenyl]-1-methyl-pyrazol-1-ium-1-carboxamide Formula: C18H17BrN3O3+ MolecularWeight: 403.24988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C(=N1)C2=CC=CC(=C2)C3=C(C=CC(=C3)OC)O)Br)C(=O)N

Isomeric SMILES

C[N+]1(C=C(C(=N1)C2=CC=CC(=C2)C3=C(C=CC(=C3)OC)O)Br)C(=O)N

InChI

InChI=1S/C18H16BrN3O3/c1-22(18(20)24)10-15(19)17(21-22)12-5-3-4-11(8-12)14-9-13(25-2)6-7-16(14)23/h3-10H,1-2H3,(H2-,20,23,24)/p+1