4-[3-azanyl-4-[2,4-bis(fluoranyl)phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-2-yl]-N-(2-dimethylaminoethyl)-3-methyl-benzamide

Systemtic Name: 4-[3-azanyl-4-[2,4-bis(fluoranyl)phenyl]carbonyl-1-oxidanidyl-pyridin-1-ium-2-yl]-N-(2-dimethylaminoethyl)-3-methyl-benzamide Openeye Name: 4-[3-amino-4-(2,4-difluorobenzoyl)-1-oxido-pyridin-1-ium-2-yl]-N-(2-dimethylaminoethyl)-3-methyl-benzamide CAS Name: 4-[3-amino-4-[(2,4-difluorophenyl)-oxomethyl]-1-oxido-2-pyridin-1-iumyl]-N-(2-dimethylaminoethyl)-3-methylbenzamide IUPAC Name: 4-[3-amino-4-(2,4-difluorobenzoyl)-1-oxidopyridin-1-ium-2-yl]-N-(2-dimethylaminoethyl)-3-methylbenzamide Traditional Name: 4-[3-amino-4-(2,4-difluorobenzoyl)-1-oxido-pyridin-1-ium-2-yl]-N-(2-dimethylaminoethyl)-3-methyl-benzamide Formula: C24H24F2N4O3 MolecularWeight: 454.469166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCN(C)C)C2=[N+](C=CC(=C2N)C(=O)C3=C(C=C(C=C3)F)F)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCN(C)C)C2=[N+](C=CC(=C2N)C(=O)C3=C(C=C(C=C3)F)F)[O-]

InChI

InChI=1S/C24H24F2N4O3/c1-14-12-15(24(32)28-9-11-29(2)3)4-6-17(14)22-21(27)19(8-10-30(22)33)23(31)18-7-5-16(25)13-20(18)26/h4-8,10,12-13H,9,11,27H2,1-3H3,(H,28,32)