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

Systemtic Name: 2-[1-(4-dimethylaminophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[1-(4-dimethylaminophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[1-(4-dimethylaminophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid IUPAC Name: 2-[1-(4-dimethylaminophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[1-(4-dimethylaminophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2CC(=O)O)OC)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2CC(=O)O)OC)OC

InChI

InChI=1S/C21H26N2O4/c1-22(2)16-7-5-14(6-8-16)21-17-12-19(27-4)18(26-3)11-15(17)9-10-23(21)13-20(24)25/h5-8,11-12,21H,9-10,13H2,1-4H3,(H,24,25)/p+1