1-[3-(dimethylamino)propyl]-4-methyl-6-oxidanylidene-3-pyridin-1-ium-1-yl-pyridin-2-olate

Systemtic Name: 1-[3-(dimethylamino)propyl]-4-methyl-6-oxidanylidene-3-pyridin-1-ium-1-yl-pyridin-2-olate Openeye Name: 1-[3-(dimethylamino)propyl]-4-methyl-6-oxo-3-pyridin-1-ium-1-yl-pyridin-2-olate CAS Name: 1-[3-(dimethylamino)propyl]-4-methyl-6-oxo-3-(1-pyridin-1-iumyl)-2-pyridinolate IUPAC Name: 1-[3-(dimethylamino)propyl]-4-methyl-6-oxo-3-pyridin-1-ium-1-ylpyridin-2-olate Traditional Name: 1-[3-(dimethylamino)propyl]-6-keto-4-methyl-3-pyridin-1-ium-1-yl-pyridin-2-olate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1[N+]2=CC=CC=C2)[O-])CCCN(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=C1[N+]2=CC=CC=C2)[O-])CCCN(C)C

InChI

InChI=1S/C16H21N3O2/c1-13-12-14(20)19(11-7-8-17(2)3)16(21)15(13)18-9-5-4-6-10-18/h4-6,9-10,12H,7-8,11H2,1-3H3