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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-10-7-17(13-20(19)26-2)14-21(24)22-18-8-5-16(6-9-18)15-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,24)/p+1