1-cyclohexyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-cyclohexyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 2-benzyl-1-cyclohexyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-cyclohexyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 2-benzyl-1-cyclohexyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 2-benzyl-1-cyclohexyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C22H26IN MolecularWeight: 431.35301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=[N+](CCC3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

C1CCC(CC1)C2=[N+](CCC3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H26N.HI/c1-3-9-18(10-4-1)17-23-16-15-19-11-7-8-14-21(19)22(23)20-12-5-2-6-13-20;/h1,3-4,7-11,14,20H,2,5-6,12-13,15-17H2;1H/q+1;/p-1