2-methyl-5-(4-phenylbutyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide

Systemtic Name: 2-methyl-5-(4-phenylbutyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Openeye Name: 2-methyl-5-(4-phenylbutyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide CAS Name: 2-methyl-5-(4-phenylbutyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide IUPAC Name: 2-methyl-5-(4-phenylbutyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Traditional Name: 2-methyl-5-(4-phenylbutyl)-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Formula: C20H26IN MolecularWeight: 407.33161

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(CCC2)CCCCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(CCC2)CCCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C20H26N.HI/c1-21-15-14-20-18(12-7-13-19(20)16-21)11-6-5-10-17-8-3-2-4-9-17;/h2-4,8-9,14-16,18H,5-7,10-13H2,1H3;1H/q+1;/p-1