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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-fluoro-4-methyl-benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-fluoro-4-methyl-benzamide Formula: C15H21FN3O2+ MolecularWeight: 294.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N)F

InChI

InChI=1S/C15H20FN3O2/c1-10-2-3-11(8-13(10)16)15(21)18-12-4-6-19(7-5-12)9-14(17)20/h2-3,8,12H,4-7,9H2,1H3,(H2,17,20)(H,18,21)/p+1