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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-cyclopentyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-cyclopentyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenoxy]-N-cyclopentylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-cyclopentylacetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-N-cyclopentyl-acetamide Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)OCC(=O)NC5CCCC5

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)OCC(=O)NC5CCCC5

InChI

InChI=1S/C27H34N2O4/c1-19-5-4-12-29(15-19)16-22-13-20(21-9-11-25-26(14-21)33-18-32-25)8-10-24(22)31-17-27(30)28-23-6-2-3-7-23/h8-11,13-14,19,23H,2-7,12,15-18H2,1H3,(H,28,30)/p+1/t19-/m0/s1