(1S,3R)-3-methyl-1-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S,3R)-3-methyl-1-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S,3R)-3-methyl-1-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S,3R)-3-methyl-1-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S,3R)-3-methyl-1-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S,3R)-3-methyl-1-phenethyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H22N+ MolecularWeight: 252.37398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2C([NH2+]1)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC2=CC=CC=C2[C@@H]([NH2+]1)CCC3=CC=CC=C3

InChI

InChI=1S/C18H21N/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3/p+1/t14-,18+/m1/s1