2-(3,5,5-trimethylhexyl)isoquinolin-2-ium chloride

Systemtic Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium chloride Openeye Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium chloride CAS Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium chloride IUPAC Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium chloride Traditional Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium chloride Formula: C18H26ClN MolecularWeight: 291.85874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N.ClH/c1-15(13-18(2,3)4)9-11-19-12-10-16-7-5-6-8-17(16)14-19;/h5-8,10,12,14-15H,9,11,13H2,1-4H3;1H/q+1;/p-1