2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride

Systemtic Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride Openeye Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride CAS Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride IUPAC Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride Traditional Name: 2-amyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride Formula: C14H20ClNO2 MolecularWeight: 269.7671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CC2=CC(=C(C=C2CC1)O)O.[Cl-]

Isomeric SMILES

CCCCC[N+]1=CC2=CC(=C(C=C2CC1)O)O.[Cl-]

InChI

InChI=1S/C14H19NO2.ClH/c1-2-3-4-6-15-7-5-11-8-13(16)14(17)9-12(11)10-15;/h8-10,17H,2-7H2,1H3;1H