2-[1-butyl-5-(4-chlorophenyl)carbonyl-1-ethyl-pyrrol-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-butyl-5-(4-chlorophenyl)carbonyl-1-ethyl-pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[1-butyl-5-(4-chlorobenzoyl)-1-ethyl-pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[1-butyl-5-[(4-chlorophenyl)-oxomethyl]-1-ethyl-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[1-butyl-5-(4-chlorobenzoyl)-1-ethylpyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[1-butyl-5-(4-chlorobenzoyl)-1-ethyl-pyrrol-1-ium-2-yl]acetamide Formula: C19H24ClN2O2+ MolecularWeight: 347.85906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)CC(=O)N)CC

Isomeric SMILES

CCCC[N+]1(C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)CC(=O)N)CC

InChI

InChI=1S/C19H23ClN2O2/c1-3-5-12-22(4-2)16(13-18(21)23)10-11-17(22)19(24)14-6-8-15(20)9-7-14/h6-11H,3-5,12-13H2,1-2H3,(H-,21,23)/p+1