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

Systemtic Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Openeye Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol CAS Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol IUPAC Name: 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Traditional Name: 2-amyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/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/p+1