2-[3-(4-chlorophenyl)-5-phenyl-1H-1,2,3,4-tetrazol-1-ium-2-yl]pyridine ethanoate

Systemtic Name: 2-[3-(4-chlorophenyl)-5-phenyl-1H-1,2,3,4-tetrazol-1-ium-2-yl]pyridine ethanoate Openeye Name: 2-[3-(4-chlorophenyl)-5-phenyl-1H-tetrazol-1-ium-2-yl]pyridine acetate CAS Name: 2-[3-(4-chlorophenyl)-5-phenyl-1H-tetrazol-1-ium-2-yl]pyridine acetate IUPAC Name: 2-[3-(4-chlorophenyl)-5-phenyl-1H-tetrazol-1-ium-2-yl]pyridine acetate Traditional Name: 2-[3-(4-chlorophenyl)-5-phenyl-1H-tetrazol-1-ium-2-yl]pyridine acetate Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)C2=NN(N([NH2+]2)C3=CC=CC=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)C2=NN(N([NH2+]2)C3=CC=CC=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN5.C2H4O2/c19-15-9-11-16(12-10-15)23-21-18(14-6-2-1-3-7-14)22-24(23)17-8-4-5-13-20-17;1-2(3)4/h1-13H,(H,21,22);1H3,(H,3,4)