2-[2-oxidanylidene-3-(3-oxidanylpropyl)-1-phenethyl-1-phenylmethoxy-pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[2-oxidanylidene-3-(3-oxidanylpropyl)-1-phenethyl-1-phenylmethoxy-pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: 2-[1-benzyloxy-3-(3-hydroxypropyl)-2-oxo-1-phenethyl-pyrrolidin-1-ium-3-yl]acetamide CAS Name: 2-[3-(3-hydroxypropyl)-2-oxo-1-phenethyl-1-phenylmethoxy-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-2-oxo-1-phenethyl-1-phenylmethoxypyrrolidin-1-ium-3-yl]acetamide Traditional Name: 2-[1-benzoxy-3-(3-hydroxypropyl)-2-keto-1-phenethyl-pyrrolidin-1-ium-3-yl]acetamide Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)C1(CCCO)CC(=O)N)(CCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1C[N+](C(=O)C1(CCCO)CC(=O)N)(CCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c25-22(28)18-24(13-7-17-27)14-16-26(23(24)29,15-12-20-8-3-1-4-9-20)30-19-21-10-5-2-6-11-21/h1-6,8-11,27H,7,12-19H2,(H-,25,28)/p+1