(1R)-1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1R)-1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1R)-1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1R)-1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1R)-1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1R)-1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C16H16NO4+ MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC(=C(C=C21)O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC(=C(C=C21)O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H15NO4/c18-12-5-9-3-4-17-16(11(9)7-13(12)19)10-1-2-14-15(6-10)21-8-20-14/h1-2,5-7,16-19H,3-4,8H2/p+1/t16-/m1/s1