2-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanol chloride

Systemtic Name: 2-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanol chloride Openeye Name: 2-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanol chloride CAS Name: 2-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanol chloride IUPAC Name: 2-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanol chloride Traditional Name: 2-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanol chloride Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1)C(=CC=C2)[N+](=O)[O-])CCO.[Cl-]

Isomeric SMILES

C[N+]1(CCC2=C(C1)C(=CC=C2)[N+](=O)[O-])CCO.[Cl-]

InChI

InChI=1S/C12H17N2O3.ClH/c1-14(7-8-15)6-5-10-3-2-4-12(13(16)17)11(10)9-14;/h2-4,15H,5-9H2,1H3;1H/q+1;/p-1