(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide

Systemtic Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Openeye Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-propenamide IUPAC Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acrylamide Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CC3=C(C(=C2)OC)OCCO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3

InChI

InChI=1S/C21H30N2O4/c1-16-6-3-4-10-23(16)11-5-9-22-20(24)8-7-17-14-18(25-2)21-19(15-17)26-12-13-27-21/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,22,24)/p+1/b8-7+/t16-/m0/s1