2-(2,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-3-yl)-1,3,5-triazine; octadecanoate

Systemtic Name: 2-(2,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-3-yl)-1,3,5-triazine; octadecanoate Openeye Name: 2-(2,5-diphenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3,5-triazine; octadecanoate CAS Name: 2-(2,5-diphenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3,5-triazine; octadecanoate IUPAC Name: 2-(2,5-diphenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3,5-triazine; octadecanoate Traditional Name: 2-(2,5-diphenyl-1,3-dihydrotetrazol-3-ium-3-yl)-s-triazine; stearate Formula: C34H49N7O2 MolecularWeight: 587.79856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3)C4=NC=NC=N4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3)C4=NC=NC=N4

InChI

InChI=1S/C18H36O2.C16H13N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-13(8-4-1)15-20-22(14-9-5-2-6-10-14)23(21-15)16-18-11-17-12-19-16/h2-17H2,1H3,(H,19,20);1-12H,(H,20,21)