1-(furan-2-yl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-furoyl)piperazino]-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H23N4O3+ MolecularWeight: 403.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CO5

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CO5

InChI

InChI=1S/C23H22N4O3/c24-15-18-16-5-1-2-6-17(16)21(19-7-3-13-29-19)25-22(18)26-9-11-27(12-10-26)23(28)20-8-4-14-30-20/h3-4,7-8,13-14H,1-2,5-6,9-12H2/p+1