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

Systemtic Name: 2-[5-(4-chlorophenyl)carbonyl-1-(2-diethylaminoethyl)-1-methyl-pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[5-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-1-methyl-pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-1-(2-diethylaminoethyl)-1-methyl-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[5-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-1-methylpyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[5-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-1-methyl-pyrrol-1-ium-2-yl]acetamide Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O2/c1-4-23(5-2)12-13-24(3)17(14-19(22)25)10-11-18(24)20(26)15-6-8-16(21)9-7-15/h6-11H,4-5,12-14H2,1-3H3,(H-,22,25)/p+1