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

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C22H28N2O2/c1-17-6-5-7-21(18(17)2)26-16-22(25)23-14-19-8-10-20(11-9-19)15-24-12-3-4-13-24/h5-11H,3-4,12-16H2,1-2H3,(H,23,25)/p+1