1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H28ClN3OS+2 MolecularWeight: 405.98452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H26ClN3OS/c22-18-7-5-17(6-8-18)15-23-10-12-24(13-11-23)21(26)16-25-9-1-3-19(25)20-4-2-14-27-20/h2,4-8,14,19H,1,3,9-13,15-16H2/p+2/t19-/m1/s1