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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol Openeye Name: 2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol CAS Name: 2-(2-isoquinolin-2-iumyl)-3-methyl-1-butanol IUPAC Name: 2-isoquinolin-2-ium-2-yl-3-methylbutan-1-ol Traditional Name: 2-isoquinolin-2-ium-2-yl-3-methyl-butan-1-ol Formula: C14H18NO+ MolecularWeight: 216.29882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO/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/q+1