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

Systemtic Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; octadecanoate Openeye Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; octadecanoate CAS Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; octadecanoate IUPAC Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; octadecanoate Traditional Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; stearate Formula: C38H54N4O2 MolecularWeight: 598.86096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4.C18H36O2/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)21-23(24)18-10-6-3-7-11-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-15H,1H3,(H,21,22);2-17H2,1H3,(H,19,20)