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

Systemtic Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-oxidanylidene-ethanamide Openeye Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(2-furylmethyl)-2-oxo-acetamide CAS Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-1-piperazinyl]-N-(2-furanylmethyl)-2-oxoacetamide IUPAC Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide Traditional Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazino]-N-(2-furfuryl)-2-keto-acetamide Formula: C27H28N5O3+ MolecularWeight: 470.54292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3/c28-17-23-21-10-4-5-11-22(21)24(19-7-2-1-3-8-19)30-25(23)31-12-14-32(15-13-31)27(34)26(33)29-18-20-9-6-16-35-20/h1-3,6-9,16H,4-5,10-15,18H2,(H,29,33)/p+1