(1S)-6,7-diethoxy-1-(2-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-(2-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(2-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-(2-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-(2-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-o-phenetyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO3+ MolecularWeight: 342.45192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OCC)OCC

InChI

InChI=1S/C21H27NO3/c1-4-23-18-10-8-7-9-16(18)21-17-14-20(25-6-3)19(24-5-2)13-15(17)11-12-22-21/h7-10,13-14,21-22H,4-6,11-12H2,1-3H3/p+1/t21-/m1/s1