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

Systemtic Name: 6,7-dimethoxy-2-methyl-1-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-methyl-1-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-methyl-1-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-methyl-1-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-methyl-1-(4-nitrobenzyl)-3,4-dihydroisoquinolin-2-ium Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N2O4/c1-20-9-8-14-11-18(24-2)19(25-3)12-16(14)17(20)10-13-4-6-15(7-5-13)21(22)23/h4-7,11-12H,8-10H2,1-3H3/q+1