(1R)-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1R)-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1R)-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1R)-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1R)-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1R)-1-(3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C21H20NO3+ MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC(=C(C=C21)O)O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC(=C(C=C21)O)O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H19NO3/c23-19-12-14-9-10-22-21(18(14)13-20(19)24)15-5-4-8-17(11-15)25-16-6-2-1-3-7-16/h1-8,11-13,21-24H,9-10H2/p+1/t21-/m1/s1