6,7-dimethoxy-2-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N2O5/c1-27-21-11-15-9-10-23(13-16(15)12-22(21)28-2)14-17-7-8-20(29-17)18-5-3-4-6-19(18)24(25)26/h3-8,11-12H,9-10,13-14H2,1-2H3/p+1