4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)pyridine; 4-dodecylbenzenesulfonate

Systemtic Name: 4-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)pyridine; 4-dodecylbenzenesulfonate Openeye Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)pyridine; 4-dodecylbenzenesulfonate CAS Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)pyridine; 4-dodecylbenzenesulfonate IUPAC Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)pyridine; 4-dodecylbenzenesulfonate Traditional Name: 4-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)pyridine; 4-laurylbesylate Formula: C36H45N5O3S MolecularWeight: 627.8392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C18H15N5.C18H30O3S/c1-3-7-16(8-4-1)22-20-18(15-11-13-19-14-12-15)21-23(22)17-9-5-2-6-10-17;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-14H,(H,20,21);13-16H,2-12H2,1H3,(H,19,20,21)