5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentylazanium

Systemtic Name: 5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentylazanium Openeye Name: 5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentylammonium CAS Name: 5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentylammonium IUPAC Name: 5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentylazanium Traditional Name: 5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentylammonium Formula: C13H17BrN3O+ MolecularWeight: 311.19758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NOC(=N2)CCCCC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=N2)CCCCC[NH3+]

InChI

InChI=1S/C13H16BrN3O/c14-11-6-4-5-10(9-11)13-16-12(18-17-13)7-2-1-3-8-15/h4-6,9H,1-3,7-8,15H2/p+1