(Z)-N-[3-(azepan-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]benzenecarboximidate

Systemtic Name: (Z)-N-[3-(azepan-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]benzenecarboximidate Openeye Name: (Z)-N-[3-(azepan-1-yl)oxadiazol-3-ium-5-yl]benzenecarboximidate CAS Name: (Z)-N-[3-(1-azepanyl)-5-oxadiazol-3-iumyl]benzenecarboximidate IUPAC Name: (Z)-N-[3-(azepan-1-yl)oxadiazol-3-ium-5-yl]benzenecarboximidate Traditional Name: (Z)-N-[3-(azepan-1-yl)oxadiazol-3-ium-5-yl]benzenecarboximidate Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)[N+]2=NOC(=C2)N=C(C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCCN(CC1)[N+]2=NOC(=C2)/N=C(/C3=CC=CC=C3)\[O-]

InChI

InChI=1S/C15H18N4O2/c20-15(13-8-4-3-5-9-13)16-14-12-19(17-21-14)18-10-6-1-2-7-11-18/h3-5,8-9,12H,1-2,6-7,10-11H2