2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol chloride

Systemtic Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol chloride Openeye Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol chloride CAS Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol chloride IUPAC Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol chloride Traditional Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol chloride Formula: C17H17ClN4O3 MolecularWeight: 360.79488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CCO.[Cl-]

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CCO.[Cl-]

InChI

InChI=1S/C17H17N4O3.ClH/c1-13-19(11-12-22)17(14-5-3-2-4-6-14)18-20(13)15-7-9-16(10-8-15)21(23)24;/h2-10,22H,11-12H2,1H3;1H/q+1;/p-1