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

Systemtic Name: 5-(1,3-dioxolan-2-yl)-1-methyl-4-(phenylmethyl)-1,2,4-triazol-4-ium Openeye Name: 4-benzyl-5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazol-4-ium CAS Name: 5-(1,3-dioxolan-2-yl)-1-methyl-4-(phenylmethyl)-1,2,4-triazol-4-ium IUPAC Name: 4-benzyl-5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazol-4-ium Traditional Name: 4-benzyl-5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazol-4-ium Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N3O2/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/q+1