2-methyl-1-propyl-3,4-dihydroisoquinolin-2-ium-6,7-diol

Systemtic Name: 2-methyl-1-propyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Openeye Name: 2-methyl-1-propyl-3,4-dihydroisoquinolin-2-ium-6,7-diol CAS Name: 2-methyl-1-propyl-3,4-dihydroisoquinolin-2-ium-6,7-diol IUPAC Name: 2-methyl-1-propyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Traditional Name: 2-methyl-1-propyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Formula: C13H18NO2+ MolecularWeight: 220.28752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](CCC2=CC(=C(C=C21)O)O)C

Isomeric SMILES

CCCC1=[N+](CCC2=CC(=C(C=C21)O)O)C

InChI

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