2-methyl-5-(phenylmethyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide

Systemtic Name: 2-methyl-5-(phenylmethyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Openeye Name: 5-benzyl-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide CAS Name: 2-methyl-5-(phenylmethyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide IUPAC Name: 5-benzyl-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Traditional Name: 5-benzyl-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Formula: C17H20IN MolecularWeight: 365.25187

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(CCC2)CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(CCC2)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H20N.HI/c1-18-11-10-17-15(8-5-9-16(17)13-18)12-14-6-3-2-4-7-14;/h2-4,6-7,10-11,13,15H,5,8-9,12H2,1H3;1H/q+1;/p-1