1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C18H22ClN2O3S2+ MolecularWeight: 413.96188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21ClN2O3S2/c19-17-7-6-15(25-17)14-20-9-11-21(12-10-20)18(22)8-13-26(23,24)16-4-2-1-3-5-16/h1-7H,8-14H2/p+1