2-(3-methylbutyl)-3,4-dihydroisoquinolin-2-ium-6,7-diol

Systemtic Name: 2-(3-methylbutyl)-3,4-dihydroisoquinolin-2-ium-6,7-diol Openeye Name: 2-isopentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol CAS Name: 2-(3-methylbutyl)-3,4-dihydroisoquinolin-2-ium-6,7-diol IUPAC Name: 2-(3-methylbutyl)-3,4-dihydroisoquinolin-2-ium-6,7-diol Traditional Name: 2-isoamyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-10(2)3-5-15-6-4-11-7-13(16)14(17)8-12(11)9-15/h7-10,17H,3-6H2,1-2H3/p+1