N-[[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]methyl]-4-[bis(fluoranyl)methoxy]benzamide

Systemtic Name: N-[[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]methyl]-4-[bis(fluoranyl)methoxy]benzamide Openeye Name: N-[[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-3-yl]methyl]-4-(difluoromethoxy)benzamide CAS Name: N-[[1-(2-amino-2-oxoethyl)-3-pyridin-1-iumyl]methyl]-4-(difluoromethoxy)benzamide IUPAC Name: N-[[1-(2-amino-2-oxoethyl)pyridin-1-ium-3-yl]methyl]-4-(difluoromethoxy)benzamide Traditional Name: N-[[1-(2-amino-2-keto-ethyl)pyridin-1-ium-3-yl]methyl]-4-(difluoromethoxy)benzamide Formula: C16H16F2N3O3+ MolecularWeight: 336.313346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)N)CNC(=O)C2=CC=C(C=C2)OC(F)F

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)N)CNC(=O)C2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C16H15F2N3O3/c17-16(18)24-13-5-3-12(4-6-13)15(23)20-8-11-2-1-7-21(9-11)10-14(19)22/h1-7,9,16H,8,10H2,(H2-,19,20,22,23)/p+1