1-oxidanidyl-4-(3-phenylbutyl)-1-(3-phenylmethoxyphenyl)-5H-1,2,3,4-tetrazol-1-ium

Systemtic Name: 1-oxidanidyl-4-(3-phenylbutyl)-1-(3-phenylmethoxyphenyl)-5H-1,2,3,4-tetrazol-1-ium Openeye Name: 1-(3-benzyloxyphenyl)-1-oxido-4-(3-phenylbutyl)-5H-tetrazol-1-ium CAS Name: 1-oxido-4-(3-phenylbutyl)-1-(3-phenylmethoxyphenyl)-5H-tetrazol-1-ium IUPAC Name: 1-oxido-4-(3-phenylbutyl)-1-(3-phenylmethoxyphenyl)-5H-tetrazol-1-ium Traditional Name: 1-(3-benzoxyphenyl)-1-oxido-4-(3-phenylbutyl)-5H-tetrazol-1-ium Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C[N+](N=N1)(C2=CC(=CC=C2)OCC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(CCN1C[N+](N=N1)(C2=CC(=CC=C2)OCC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-20(22-11-6-3-7-12-22)15-16-27-19-28(29,26-25-27)23-13-8-14-24(17-23)30-18-21-9-4-2-5-10-21/h2-14,17,20H,15-16,18-19H2,1H3