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

Systemtic Name: 6,7-dimethoxy-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(3-nitrobenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O4/c1-23-17-9-14-6-7-19(12-15(14)10-18(17)24-2)11-13-4-3-5-16(8-13)20(21)22/h3-5,8-10H,6-7,11-12H2,1-2H3/p+1