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

Systemtic Name: 2-[5-(4-chlorophenyl)carbonyl-1-[4-(diethylamino)butyl]-1-methyl-pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[5-(4-chlorobenzoyl)-1-[4-(diethylamino)butyl]-1-methyl-pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-1-[4-(diethylamino)butyl]-1-methyl-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[5-(4-chlorobenzoyl)-1-[4-(diethylamino)butyl]-1-methylpyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[5-(4-chlorobenzoyl)-1-[4-(diethylamino)butyl]-1-methyl-pyrrol-1-ium-2-yl]acetamide Formula: C22H31ClN3O2+ MolecularWeight: 404.95344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O2/c1-4-25(5-2)14-6-7-15-26(3)19(16-21(24)27)12-13-20(26)22(28)17-8-10-18(23)11-9-17/h8-13H,4-7,14-16H2,1-3H3,(H-,24,27)/p+1