(1S)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1S)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1S)-1-(3-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1S)-1-(3-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1S)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1S)-1-(3-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C14H15N2O2+ MolecularWeight: 243.2811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2/c17-12-6-9-3-5-16-14(11(9)7-13(12)18)10-2-1-4-15-8-10/h1-2,4,6-8,14,16-18H,3,5H2/p+1/t14-/m1/s1