5-bromanyl-1-phenyl-pyrazole; pyridin-1-ium

Systemtic Name: 5-bromanyl-1-phenyl-pyrazole; pyridin-1-ium Openeye Name: 5-bromo-1-phenyl-pyrazole; pyridin-1-ium CAS Name: 5-bromo-1-phenylpyrazole; pyridin-1-ium IUPAC Name: 5-bromo-1-phenylpyrazole; pyridin-1-ium Traditional Name: 5-bromo-1-phenyl-pyrazole; pyridin-1-ium Formula: C14H13BrN3+ MolecularWeight: 303.17712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC=N2)Br.C1=CC=[NH+]C=C1

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC=N2)Br.C1=CC=[NH+]C=C1

InChI

InChI=1S/C9H7BrN2.C5H5N/c10-9-6-7-11-12(9)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-7H;1-5H/p+1