(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C=CC2=CC3=C(C(=C2)OC)OCCO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3

InChI

InChI=1S/C20H28N2O4/c1-3-8-22-9-6-16(7-10-22)21-19(23)5-4-15-13-17(24-2)20-18(14-15)25-11-12-26-20/h4-5,13-14,16H,3,6-12H2,1-2H3,(H,21,23)/p+1/b5-4+