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

Systemtic Name: 3-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(benzofuran-2-carbonyl)piperazino]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C29H27N4O2+ MolecularWeight: 463.55028

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=CC5=CC=CC=C5O4)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

InChI

InChI=1S/C29H26N4O2/c30-19-24-22-11-5-6-12-23(22)27(20-8-2-1-3-9-20)31-28(24)32-14-16-33(17-15-32)29(34)26-18-21-10-4-7-13-25(21)35-26/h1-4,7-10,13,18H,5-6,11-12,14-17H2/p+1