N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propionamide Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H30N2O3/c1-3-16(2)15-23-10-8-17(9-11-23)4-7-21(24)22-18-5-6-19-20(14-18)26-13-12-25-19/h3,5-6,14,17H,4,7-13,15H2,1-2H3,(H,22,24)/p+1/b16-3+