4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: [4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]amine; 2,4,6-trimethylbesylate Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=[N+](C=C3)N

InChI

InChI=1S/C13H11N4O.C9H12O3S/c14-17-8-6-11(7-9-17)13-16-15-12(18-13)10-4-2-1-3-5-10;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-9H,14H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1