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

Systemtic Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-2-keto-acetamide Formula: C22H24N5O2+ MolecularWeight: 390.45826

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)N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c23-14-18-16-8-4-5-9-17(16)19(15-6-2-1-3-7-15)25-21(18)26-10-12-27(13-11-26)22(29)20(24)28/h1-3,6-7H,4-5,8-13H2,(H2,24,28)/p+1