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

Systemtic Name: (E)-3-(3-chloranyl-4-fluoranyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-fluoro-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-4-fluorophenyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-4-fluorophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-fluoro-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C17H23ClFN2O+ MolecularWeight: 325.828723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClFN2O/c1-2-9-21-10-7-14(8-11-21)20-17(22)6-4-13-3-5-16(19)15(18)12-13/h3-6,12,14H,2,7-11H2,1H3,(H,20,22)/p+1/b6-4+