3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CCC2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CCC2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C23H28N2O4/c1-27-20-7-3-2-6-18(20)19(25-12-4-5-13-25)15-24-23(26)11-9-17-8-10-21-22(14-17)29-16-28-21/h2-3,6-8,10,14,19H,4-5,9,11-13,15-16H2,1H3,(H,24,26)/p+1/t19-/m0/s1