5-[4-(2-methylheptan-2-yloxy)phenyl]-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 5-[4-(2-methylheptan-2-yloxy)phenyl]-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 5-[4-(1,1-dimethylhexoxy)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: 5-[4-(2-methylheptan-2-yloxy)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: 5-[4-(2-methylheptan-2-yloxy)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 5-[4-(1,1-dimethylhexoxy)phenyl]-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)OC1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C)(C)OC1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O/c1-4-5-12-21-27(2,3)32-25-19-17-22(18-20-25)26-28-30(23-13-8-6-9-14-23)31(29-26)24-15-10-7-11-16-24/h6-11,13-20H,4-5,12,21H2,1-3H3,(H,28,29)/p+1