1-(3-isoquinolin-1-ylpropyl)-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 1-(3-isoquinolin-1-ylpropyl)-2-methyl-isoquinolin-2-ium iodide Openeye Name: 1-[3-(1-isoquinolyl)propyl]-2-methyl-isoquinolin-2-ium iodide CAS Name: 1-[3-(1-isoquinolinyl)propyl]-2-methylisoquinolin-2-ium iodide IUPAC Name: 1-(3-isoquinolin-1-ylpropyl)-2-methylisoquinolin-2-ium iodide Traditional Name: 1-[3-(1-isoquinolyl)propyl]-2-methyl-isoquinolin-2-ium iodide Formula: C22H21IN2 MolecularWeight: 440.32001

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CCCC3=NC=CC4=CC=CC=C43.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CCCC3=NC=CC4=CC=CC=C43.[I-]

InChI

InChI=1S/C22H21N2.HI/c1-24-16-14-18-8-3-5-10-20(18)22(24)12-6-11-21-19-9-4-2-7-17(19)13-15-23-21;/h2-5,7-10,13-16H,6,11-12H2,1H3;1H/q+1;/p-1