methyl sulfate; N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-methanimine

Systemtic Name: methyl sulfate; N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-methanimine Openeye Name: methyl sulfate; N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenyl-methanimine CAS Name: methyl sulfate; N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenylmethanimine IUPAC Name: methyl sulfate; N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-phenylmethanimine Traditional Name: (Z)-benzal-(1-methyl-1,2,4-triazol-4-ium-4-yl)amine; methyl sulfate Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)N=CC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=[N+](C=N1)/N=C\C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H11N4.CH4O4S/c1-13-9-14(8-12-13)11-7-10-5-3-2-4-6-10;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1/b11-7-;