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

Systemtic Name: [(1S)-1-methyl-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ethanoate Openeye Name: [(1S)-7-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate CAS Name: acetic acid [(1S)-7-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ester IUPAC Name: [(1S)-7-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate Traditional Name: acetic acid [(1S)-7-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH2+]1)OC(=O)C)O

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH2+]1)OC(=O)C)O

InChI

InChI=1S/C12H15NO3/c1-7-10-6-11(15)12(16-8(2)14)5-9(10)3-4-13-7/h5-7,13,15H,3-4H2,1-2H3/p+1/t7-/m0/s1