[4-(5-nonyl-1,3,4-oxadiazol-2-yl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-(5-nonyl-1,3,4-oxadiazol-2-yl)phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-(5-nonyl-1,3,4-oxadiazol-2-yl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-(5-nonyl-1,3,4-oxadiazol-2-yl)phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-(5-nonyl-1,3,4-oxadiazol-2-yl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-(5-nonyl-1,3,4-oxadiazol-2-yl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(O1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCCC1=NN=C(O1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C24H27N5O3/c1-2-3-4-5-6-7-8-13-22-25-26-23(32-22)18-14-16-19(17-15-18)24(30)28-20-11-9-10-12-21(20)29(31)27-28/h9-12,14-17H,2-8,13H2,1H3