1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O2/c1-13-18(15(3)25)14(2)22-19(13)20(26)24-9-7-23(8-10-24)12-16-5-4-6-17(21)11-16/h4-6,11,22H,7-10,12H2,1-3H3/p+1