4-(5-methyl-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenol bromide

Systemtic Name: 4-(5-methyl-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenol bromide Openeye Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol bromide CAS Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol bromide IUPAC Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol bromide Traditional Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol bromide Formula: C14H15BrN4O MolecularWeight: 335.1991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+](N(N1)C2=CC=C(C=C2)O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=N[NH+](N(N1)C2=CC=C(C=C2)O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H14N4O.BrH/c1-11-15-17(12-5-3-2-4-6-12)18(16-11)13-7-9-14(19)10-8-13;/h2-10,19H,1H3,(H,15,16);1H