methanesulfonate; 1-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-1,2,4-triazol-4-ium-4-yl]methanimine

Systemtic Name: methanesulfonate; 1-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-1,2,4-triazol-4-ium-4-yl]methanimine Openeye Name: methanesulfonate; 1-(4-methoxyphenyl)-N-[1-(p-tolyl)-1,2,4-triazol-4-ium-4-yl]methanimine CAS Name: methanesulfonate; 1-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-1,2,4-triazol-4-ium-4-yl]methanimine IUPAC Name: methanesulfonate; 1-(4-methoxyphenyl)-N-[1-(4-methylphenyl)-1,2,4-triazol-4-ium-4-yl]methanimine Traditional Name: (E)-p-anisylidene-[1-(p-tolyl)-1,2,4-triazol-4-ium-4-yl]amine mesylate Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=[N+](C=N2)N=CC3=CC=C(C=C3)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C=[N+](C=N2)/N=C/C3=CC=C(C=C3)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N4O.CH4O3S/c1-14-3-7-16(8-4-14)21-13-20(12-19-21)18-11-15-5-9-17(22-2)10-6-15;1-5(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b18-11+;