3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone iodide

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone iodide Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone iodide CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-4-pyridin-1-iumyl)methanone iodide IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone iodide Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyridin-1-ium-4-yl)methanone iodide Formula: C16H17IN2O MolecularWeight: 380.22345

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2.[I-]

InChI

InChI=1S/C16H17N2O.HI/c1-17-9-6-14(7-10-17)16(19)18-11-8-13-4-2-3-5-15(13)12-18;/h2-7,9-10H,8,11-12H2,1H3;1H/q+1;/p-1