6-bromanyl-3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]chromen-2-one Openeye Name: 6-bromo-3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]chromen-2-one CAS Name: 6-bromo-3-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]chromen-2-one Traditional Name: 6-bromo-3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]coumarin Formula: C18H16BrN2O3+ MolecularWeight: 388.23524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C18H16BrN2O3/c1-20(2)14-5-7-21(8-6-14)11-16(22)15-10-12-9-13(19)3-4-17(12)24-18(15)23/h3-10H,11H2,1-2H3/q+1