2-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H19N2O3+ MolecularWeight: 335.37646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O3/c23-22(24)19-8-4-3-7-18(19)20-10-9-17(25-20)14-21-12-11-15-5-1-2-6-16(15)13-21/h1-10H,11-14H2/p+1