(E)-3-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O3/c1-2-9-20-10-7-15(8-11-20)19-18(21)6-4-14-3-5-16-17(12-14)23-13-22-16/h3-6,12,15H,2,7-11,13H2,1H3,(H,19,21)/p+1/b6-4+