2-(4-propanoylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-propanoylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-propanoylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[4-(1-oxopropyl)phenoxy]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-propanoylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-propionylphenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C23H28N2O3/c1-2-22(26)18-9-11-21(12-10-18)28-17-23(27)24-15-19-7-3-4-8-20(19)16-25-13-5-6-14-25/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,24,27)/p+1