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

Systemtic Name: 2-[4-(phenylcarbonyl)phenoxy]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-benzoylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-benzoylphenoxy)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-benzoylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-benzoylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c30-26(28-18-21-8-10-22(11-9-21)19-29-16-4-5-17-29)20-32-25-14-12-24(13-15-25)27(31)23-6-2-1-3-7-23/h1-3,6-15H,4-5,16-20H2,(H,28,30)/p+1