(E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]cyclohexanecarboximidate

Systemtic Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]cyclohexanecarboximidate Openeye Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)oxadiazol-3-ium-5-yl]cyclohexanecarboximidate CAS Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxadiazol-3-iumyl]cyclohexanecarboximidate IUPAC Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)oxadiazol-3-ium-5-yl]cyclohexanecarboximidate Traditional Name: (E)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)oxadiazol-3-ium-5-yl]cyclohexanecarboximidate Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=NC2=C[N+](=NO2)N3CCC4=CC=CC=C4C3)[O-]

Isomeric SMILES

C1CCC(CC1)/C(=N\C2=C[N+](=NO2)N3CCC4=CC=CC=C4C3)/[O-]

InChI

InChI=1S/C18H22N4O2/c23-18(15-7-2-1-3-8-15)19-17-13-22(20-24-17)21-11-10-14-6-4-5-9-16(14)12-21/h4-6,9,13,15H,1-3,7-8,10-12H2