(1R)-6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6,7-diethoxy-1-(3-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6,7-diethoxy-1-(3-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6,7-diethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6,7-diethoxy-1-(3-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H23N2O2+ MolecularWeight: 299.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CN=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CN=CC=C3)OCC

InChI

InChI=1S/C18H22N2O2/c1-3-21-16-10-13-7-9-20-18(14-6-5-8-19-12-14)15(13)11-17(16)22-4-2/h5-6,8,10-12,18,20H,3-4,7,9H2,1-2H3/p+1/t18-/m0/s1