4-bromanyl-1-methyl-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ium-1-carboxamide

Systemtic Name: 4-bromanyl-1-methyl-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ium-1-carboxamide Openeye Name: 4-bromo-3-(3-tert-butoxyphenyl)-1-methyl-pyrazol-1-ium-1-carboxamide CAS Name: 4-bromo-1-methyl-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1-pyrazol-1-iumcarboxamide IUPAC Name: 4-bromo-1-methyl-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ium-1-carboxamide Traditional Name: 4-bromo-3-(3-tert-butoxyphenyl)-1-methyl-pyrazol-1-ium-1-carboxamide Formula: C15H19BrN3O2+ MolecularWeight: 353.23426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=CC(=C1)C2=N[N+](C=C2Br)(C)C(=O)N

Isomeric SMILES

CC(C)(C)OC1=CC=CC(=C1)C2=N[N+](C=C2Br)(C)C(=O)N

InChI

InChI=1S/C15H18BrN3O2/c1-15(2,3)21-11-7-5-6-10(8-11)13-12(16)9-19(4,18-13)14(17)20/h5-9H,1-4H3,(H-,17,20)/p+1