3-(2,3-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(2,3-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(2,3-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide CAS Name: 3-(2,3-dimethoxyphenyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]propanamide IUPAC Name: 3-(2,3-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(2,3-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propionamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O3/c1-26-20-7-5-6-18(22(20)27-2)10-13-21(25)23-19-11-8-17(9-12-19)16-24-14-3-4-15-24/h5-9,11-12H,3-4,10,13-16H2,1-2H3,(H,23,25)/p+1