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

Systemtic Name: (1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C17H18NO5+ MolecularWeight: 316.32852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3C4=CC(=C(C=C4CC[NH2+]3)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)[C@@H]3C4=CC(=C(C=C4CC[NH2+]3)O)O

InChI

InChI=1S/C17H17NO5/c1-21-14-5-10(6-15-17(14)23-8-22-15)16-11-7-13(20)12(19)4-9(11)2-3-18-16/h4-7,16,18-20H,2-3,8H2,1H3/p+1/t16-/m1/s1