3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate

Systemtic Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate Openeye Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate CAS Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate IUPAC Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate Traditional Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propionate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CCC(=O)[O-])OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CCC(=O)[O-])OC)OC

InChI

InChI=1S/C15H21NO4/c1-10-12-9-14(20-3)13(19-2)8-11(12)4-6-16(10)7-5-15(17)18/h8-10H,4-7H2,1-3H3,(H,17,18)/t10-/m0/s1