6,7-dimethoxy-3,3-dimethyl-1-(4-nitrophenyl)-4H-isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-1-(4-nitrophenyl)-4H-isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3,3-dimethyl-1-(4-nitrophenyl)-4H-isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3,3-dimethyl-1-(4-nitrophenyl)-4H-isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3,3-dimethyl-1-(4-nitrophenyl)-4H-isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3,3-dimethyl-1-(4-nitrophenyl)-4H-isoquinolin-2-ium Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=[NH+]1)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=[NH+]1)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C19H20N2O4/c1-19(2)11-13-9-16(24-3)17(25-4)10-15(13)18(20-19)12-5-7-14(8-6-12)21(22)23/h5-10H,11H2,1-4H3/p+1