(E)-3-(5-chloranyl-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-chloranyl-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-chloro-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-chloro-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-chloro-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-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acrylamide Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O3/c1-15-5-2-3-9-23(15)10-4-8-22-19(24)7-6-16-13-17(21)20-18(14-16)25-11-12-26-20/h6-7,13-15H,2-5,8-12H2,1H3,(H,22,24)/p+1/b7-6+/t15-/m0/s1