2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol chloride

Systemtic Name: 2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol chloride Openeye Name: 2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-3-methyl-1-butanol chloride IUPAC Name: 2-isoquinolin-2-ium-2-yl-3-methylbutan-1-ol chloride Traditional Name: 2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol chloride Formula: C14H18ClNO MolecularWeight: 251.75182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO.ClH/c1-11(2)14(10-16)15-8-7-12-5-3-4-6-13(12)9-15;/h3-9,11,14,16H,10H2,1-2H3;1H/q+1;/p-1