1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-[2,5-bis(chloranyl)thiophen-3-yl]sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-phenethyl-piperazin-4-ium CAS Name: 1-[(2,5-dichloro-3-thiophenyl)sulfonyl]-4-phenethylpiperazin-4-ium IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-[(2,5-dichloro-3-thienyl)sulfonyl]-4-phenethyl-piperazin-4-ium Formula: C16H19Cl2N2O2S2+ MolecularWeight: 406.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O2S2/c17-15-12-14(16(18)23-15)24(21,22)20-10-8-19(9-11-20)7-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2/p+1