(1S)-1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate

Systemtic Name: (1S)-1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Openeye Name: (1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate CAS Name: (1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate IUPAC Name: (1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Traditional Name: (1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2CC[NH2+]1)O)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1