2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-ethyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-ethyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-ethyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenoxy]-N-ethylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-ethylacetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-ethyl-acetamide Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C[NH+]4CCCC(C4)C

Isomeric SMILES

CCNC(=O)COC1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C[NH+]4CCC[C@@H](C4)C

InChI

InChI=1S/C24H30N2O4/c1-3-25-24(27)15-28-21-8-6-18(19-7-9-22-23(12-19)30-16-29-22)11-20(21)14-26-10-4-5-17(2)13-26/h6-9,11-12,17H,3-5,10,13-16H2,1-2H3,(H,25,27)/p+1/t17-/m0/s1