N-[[5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-thienyl]methyl]acetamide CAS Name: N-[[5-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-thienyl]methyl]acetamide Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C17H22N4O3S2/c1-14(22)19-12-16-5-6-17(25-16)26(23,24)21-10-8-20(9-11-21)13-15-4-2-3-7-18-15/h2-7H,8-13H2,1H3,(H,19,22)/p+1