(1S)-5,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-5,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-5,7-dimethoxy-1-(3-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-5,7-dimethoxy-1-(3-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-5,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-5,7-dimethoxy-1-(3-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC[NH2+]C(C2=C1)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C2CC[NH2+][C@@H](C2=C1)C3=CN=CC=C3)OC

InChI

InChI=1S/C16H18N2O2/c1-19-12-8-14-13(15(9-12)20-2)5-7-18-16(14)11-4-3-6-17-10-11/h3-4,6,8-10,16,18H,5,7H2,1-2H3/p+1/t16-/m1/s1