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

Systemtic Name: 2-butyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Openeye Name: 2-butyl-3,4-dihydroisoquinolin-2-ium-6,7-diol CAS Name: 2-butyl-3,4-dihydroisoquinolin-2-ium-6,7-diol IUPAC Name: 2-butyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Traditional Name: 2-butyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Formula: C13H18NO2+ MolecularWeight: 220.28752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-2-3-5-14-6-4-10-7-12(15)13(16)8-11(10)9-14/h7-9,16H,2-6H2,1H3/p+1