2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxidanylidene-ethanehydrazide

Systemtic Name: 2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxidanylidene-ethanehydrazide Openeye Name: 2-[4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxo-acetohydrazide CAS Name: 2-[4-[4-cyano-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]-1-piperazinyl]-2-oxoacetohydrazide IUPAC Name: 2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxoacetohydrazide Traditional Name: 2-[4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazino]-2-keto-acetohydrazide Formula: C20H23N6O3+ MolecularWeight: 395.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NN)C4=CC=CO4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NN)C4=CC=CO4

InChI

InChI=1S/C20H22N6O3/c21-12-15-13-4-1-2-5-14(13)17(16-6-3-11-29-16)23-18(15)25-7-9-26(10-8-25)20(28)19(27)24-22/h3,6,11H,1-2,4-5,7-10,22H2,(H,24,27)/p+1