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

Systemtic Name: 2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: 2-[4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxo-acetamide CAS Name: 2-[4-[4-cyano-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]-1-piperazinyl]-2-oxoacetamide IUPAC Name: 2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazin-1-yl]-2-oxoacetamide Traditional Name: 2-[4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]piperazino]-2-keto-acetamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c21-12-15-13-4-1-2-5-14(13)17(16-6-3-11-28-16)23-19(15)24-7-9-25(10-8-24)20(27)18(22)26/h3,6,11H,1-2,4-5,7-10H2,(H2,22,26)/p+1