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

Systemtic Name: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-furoyl)piperazino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c26-17-21-19-9-4-5-10-20(19)23(18-7-2-1-3-8-18)27-24(21)28-12-14-29(15-13-28)25(30)22-11-6-16-31-22/h1-3,6-8,11,16H,4-5,9-10,12-15H2/p+1