(4-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H21N2O3S2+ MolecularWeight: 365.49024

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H20N2O3S2/c1-24(21,22)16-4-2-15(3-5-16)17(20)19-9-7-18(8-10-19)12-14-6-11-23-13-14/h2-6,11,13H,7-10,12H2,1H3/p+1