4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)benzenecarbonitrile; dodecanoate

Systemtic Name: 4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)benzenecarbonitrile; dodecanoate Openeye Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; dodecanoate CAS Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; dodecanoate IUPAC Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; dodecanoate Traditional Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)benzonitrile; laurate Formula: C32H39N5O2 MolecularWeight: 525.68436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5.C12H24O2/c21-15-16-11-13-17(14-12-16)20-22-24(18-7-3-1-4-8-18)25(23-20)19-9-5-2-6-10-19;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1-14H,(H,22,23);2-11H2,1H3,(H,13,14)