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

Systemtic Name: (1Z)-N-[3-(azepan-1-yl)-1,2,3-oxadiazol-3-ium-5-yl]-2-methyl-benzenecarboximidate Openeye Name: (1Z)-N-[3-(azepan-1-yl)oxadiazol-3-ium-5-yl]-2-methyl-benzenecarboximidate CAS Name: (1Z)-N-[3-(1-azepanyl)-5-oxadiazol-3-iumyl]-2-methylbenzenecarboximidate IUPAC Name: (1Z)-N-[3-(azepan-1-yl)oxadiazol-3-ium-5-yl]-2-methylbenzenecarboximidate Traditional Name: (1Z)-N-[3-(azepan-1-yl)oxadiazol-3-ium-5-yl]-2-methyl-benzenecarboximidate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=NC2=C[N+](=NO2)N3CCCCCC3)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C(=N/C2=C[N+](=NO2)N3CCCCCC3)/[O-]

InChI

InChI=1S/C16H20N4O2/c1-13-8-4-5-9-14(13)16(21)17-15-12-20(18-22-15)19-10-6-2-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3