3-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-2-oxo-ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-2-oxoethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-2-keto-ethyl]oxadiazol-3-ium-5-olate Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[N+]2=NOC(=C2)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)C(=O)C[N+]2=NOC(=C2)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H22N4O3/c23-17(12-22-13-18(24)25-19-22)21-8-3-6-16(11-21)20-9-7-14-4-1-2-5-15(14)10-20/h1-2,4-5,13,16H,3,6-12H2