1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,4-dimesylphenyl)-4-(2-thenyl)piperazin-4-ium Formula: C17H23N2O4S3+ MolecularWeight: 415.57052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CS3)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CS3)S(=O)(=O)C

InChI

InChI=1S/C17H22N2O4S3/c1-25(20,21)15-5-6-16(17(12-15)26(2,22)23)19-9-7-18(8-10-19)13-14-4-3-11-24-14/h3-6,11-12H,7-10,13H2,1-2H3/p+1