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

Systemtic Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O2/c1-13(23)15-10-17(20-11-15)18(24)22-7-5-21(6-8-22)12-14-3-2-4-16(19)9-14/h2-4,9-11,20H,5-8,12H2,1H3/p+1