hexyl 2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carboxylate

Systemtic Name: hexyl 2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carboxylate Openeye Name: hexyl 2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-carboxylate CAS Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-carboxylic acid hexyl ester IUPAC Name: hexyl 2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-carboxylate Traditional Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-carboxylic acid hexyl ester Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC(=O)C1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c1-2-3-4-11-16-26-20(25)19-21-23(17-12-7-5-8-13-17)24(22-19)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3,(H,21,22)/p+1