4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzoate

Systemtic Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzoate Openeye Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzoate CAS Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzoate IUPAC Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzoate Traditional Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]benzoate Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C18H19NO4/c1-22-15-9-13-7-8-19-17(14(13)10-16(15)23-2)11-3-5-12(6-4-11)18(20)21/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21)/t17-/m1/s1