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

Systemtic Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid IUPAC Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Formula: C19H21N2O6+ MolecularWeight: 373.37984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-26-16-9-12-6-7-20(11-18(22)23)19(15(12)10-17(16)27-2)13-4-3-5-14(8-13)21(24)25/h3-5,8-10,19H,6-7,11H2,1-2H3,(H,22,23)/p+1