N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-phenoxy-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-phenoxy-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-phenoxy-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-phenoxyacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-phenoxyacetamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-phenoxy-N-piperonyl-acetamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O4/c1-2-24-12-6-7-19(24)15-25(23(26)16-27-20-8-4-3-5-9-20)14-18-10-11-21-22(13-18)29-17-28-21/h3-5,8-11,13,19H,2,6-7,12,14-17H2,1H3/p+1/t19-/m1/s1