3-methyl-2-(3-phenylpropyl)isoquinolin-2-ium iodide

Systemtic Name: 3-methyl-2-(3-phenylpropyl)isoquinolin-2-ium iodide Openeye Name: 3-methyl-2-(3-phenylpropyl)isoquinolin-2-ium iodide CAS Name: 3-methyl-2-(3-phenylpropyl)isoquinolin-2-ium iodide IUPAC Name: 3-methyl-2-(3-phenylpropyl)isoquinolin-2-ium iodide Traditional Name: 3-methyl-2-(3-phenylpropyl)isoquinolin-2-ium iodide Formula: C19H20IN MolecularWeight: 389.27327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CCCC3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H20N.HI/c1-16-14-18-11-5-6-12-19(18)15-20(16)13-7-10-17-8-3-2-4-9-17;/h2-6,8-9,11-12,14-15H,7,10,13H2,1H3;1H/q+1;/p-1