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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C18H26FN2O2+ MolecularWeight: 321.409643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN2O2/c1-3-10-21-11-8-15(9-12-21)20-18(22)7-5-14-4-6-17(23-2)16(19)13-14/h4-7,13,15H,3,8-12H2,1-2H3,(H,20,22)/p+1/b7-5+