5-(1,3-dioxolan-2-yl)-1-methyl-4-(phenylmethyl)-1,2,4-triazol-4-ium bromide

Systemtic Name: 5-(1,3-dioxolan-2-yl)-1-methyl-4-(phenylmethyl)-1,2,4-triazol-4-ium bromide Openeye Name: 4-benzyl-5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazol-4-ium bromide CAS Name: 5-(1,3-dioxolan-2-yl)-1-methyl-4-(phenylmethyl)-1,2,4-triazol-4-ium bromide IUPAC Name: 4-benzyl-5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazol-4-ium bromide Traditional Name: 4-benzyl-5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazol-4-ium bromide Formula: C13H16BrN3O2 MolecularWeight: 326.18904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C=N1)CC2=CC=CC=C2)C3OCCO3.[Br-]

Isomeric SMILES

CN1C(=[N+](C=N1)CC2=CC=CC=C2)C3OCCO3.[Br-]

InChI

InChI=1S/C13H16N3O2.BrH/c1-15-12(13-17-7-8-18-13)16(10-14-15)9-11-5-3-2-4-6-11;/h2-6,10,13H,7-9H2,1H3;1H/q+1;/p-1