1-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-indolin-1-yl-ethanone chloride CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-indolin-1-yl-ethanone chloride Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C17H20N3O.ClH/c1-18(2)15-8-10-19(11-9-15)13-17(21)20-12-7-14-5-3-4-6-16(14)20;/h3-6,8-11H,7,12-13H2,1-2H3;1H/q+1;/p-1