(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C17H23BrFN2O+ MolecularWeight: 370.279723

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H22BrFN2O/c1-2-9-21-10-7-15(8-11-21)20-17(22)6-3-13-12-14(18)4-5-16(13)19/h3-6,12,15H,2,7-11H2,1H3,(H,20,22)/p+1/b6-3+