N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-propanoylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-propanoylphenoxy)acetamide CAS Name: 2-[4-(1-oxopropyl)phenoxy]-N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-propionylphenoxy)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)NCC(C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC[C@H](C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C23H28N2O3/c1-2-22(26)19-10-12-20(13-11-19)28-17-23(27)24-16-21(25-14-6-7-15-25)18-8-4-3-5-9-18/h3-5,8-13,21H,2,6-7,14-17H2,1H3,(H,24,27)/p+1/t21-/m1/s1