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

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone chloride Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCCC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)N2CCCC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C18H22N3O.ClH/c1-19(2)16-9-12-20(13-10-16)14-18(22)21-11-5-7-15-6-3-4-8-17(15)21;/h3-4,6,8-10,12-13H,5,7,11,14H2,1-2H3;1H/q+1;/p-1