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

Systemtic Name: [4-(methylsulfonylmethyl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(methylsulfonylmethyl)phenyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(methylsulfonylmethyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(methylsulfonylmethyl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(mesylmethyl)phenyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O3S2+ MolecularWeight: 379.51682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22N2O3S2/c1-25(22,23)14-15-2-4-17(5-3-15)18(21)20-9-7-19(8-10-20)12-16-6-11-24-13-16/h2-6,11,13H,7-10,12,14H2,1H3/p+1