2-(3-methylbutyl)isoquinolin-2-ium iodide

Systemtic Name: 2-(3-methylbutyl)isoquinolin-2-ium iodide Openeye Name: 2-isopentylisoquinolin-2-ium iodide CAS Name: 2-(3-methylbutyl)isoquinolin-2-ium iodide IUPAC Name: 2-(3-methylbutyl)isoquinolin-2-ium iodide Traditional Name: 2-isoamylisoquinolin-2-ium iodide Formula: C14H18IN MolecularWeight: 327.20389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=CC2=CC=CC=C2C=C1.[I-]

Isomeric SMILES

CC(C)CC[N+]1=CC2=CC=CC=C2C=C1.[I-]

InChI

InChI=1S/C14H18N.HI/c1-12(2)7-9-15-10-8-13-5-3-4-6-14(13)11-15;/h3-6,8,10-12H,7,9H2,1-2H3;1H/q+1;/p-1