2-methyl-5,5-diphenethyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium iodide

Systemtic Name: 2-methyl-5,5-diphenethyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium iodide Openeye Name: 2-methyl-5,5-diphenethyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium iodide CAS Name: 2-methyl-5,5-diphenethyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium iodide IUPAC Name: 2-methyl-5,5-diphenethyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium iodide Traditional Name: 2-methyl-5,5-diphenethyl-4,6,7,8-tetrahydro-3H-isoquinolin-2-ium iodide Formula: C26H32IN MolecularWeight: 485.44345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(CC1)C(CCC2)(CCC3=CC=CC=C3)CCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC2=C(CC1)C(CCC2)(CCC3=CC=CC=C3)CCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C26H32N.HI/c1-27-20-16-25-24(21-27)13-8-17-26(25,18-14-22-9-4-2-5-10-22)19-15-23-11-6-3-7-12-23;/h2-7,9-12,21H,8,13-20H2,1H3;1H/q+1;/p-1