N-[2-[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylthiophen-2-yl]ethyl]methanesulfonamide

Systemtic Name: N-[2-[5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylthiophen-2-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-thienyl]ethyl]methanesulfonamide CAS Name: N-[2-[5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiophenyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-thienyl]ethyl]methanesulfonamide Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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