N-(3-azanyl-4-fluoranyl-phenyl)-4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(3-amino-4-fluorophenyl)-4-[(2S)-2-methyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(3-amino-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-4-[(2S)-2-methylpiperidin-1-ium-1-yl]butyramide Formula: C16H25FN3O+ MolecularWeight: 294.387603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCC(=O)NC2=CC(=C(C=C2)F)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCC(=O)NC2=CC(=C(C=C2)F)N

InChI

InChI=1S/C16H24FN3O/c1-12-5-2-3-9-20(12)10-4-6-16(21)19-13-7-8-14(17)15(18)11-13/h7-8,11-12H,2-6,9-10,18H2,1H3,(H,19,21)/p+1/t12-/m0/s1