6-chloranyl-4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(dimethylamino)-1-pyridin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C18H18ClN2O2+ MolecularWeight: 329.80072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=C(C=C3)N(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=C(C=C3)N(C)C)Cl

InChI

InChI=1S/C18H18ClN2O2/c1-12-8-17-15(10-16(12)19)13(9-18(22)23-17)11-21-6-4-14(5-7-21)20(2)3/h4-10H,11H2,1-3H3/q+1