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

Systemtic Name: 2-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)quinoline; octadecanoate Openeye Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)quinoline; octadecanoate CAS Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)quinoline; octadecanoate IUPAC Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)quinoline; octadecanoate Traditional Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)quinoline; stearate Formula: C40H53N5O2 MolecularWeight: 635.88112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H17N5.C18H36O2/c1-3-10-18(11-4-1)26-24-22(25-27(26)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)23-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1-16H,(H,24,25);2-17H2,1H3,(H,19,20)