4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(dimethylamino)-1-pyridin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C19H21N2O2/c1-13-5-6-17-15(11-18(22)23-19(17)14(13)2)12-21-9-7-16(8-10-21)20(3)4/h5-11H,12H2,1-4H3/q+1