2-methyl-5-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide

Systemtic Name: 2-methyl-5-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Openeye Name: 2-methyl-5-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide CAS Name: 2-methyl-5-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide IUPAC Name: 2-methyl-5-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Traditional Name: 2-methyl-5-phenethyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Formula: C18H22IN MolecularWeight: 379.27845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(CCC2)CCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(CCC2)CCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H22N.HI/c1-19-13-12-18-16(8-5-9-17(18)14-19)11-10-15-6-3-2-4-7-15;/h2-4,6-7,12-14,16H,5,8-11H2,1H3;1H/q+1;/p-1