(5-ethylthiophen-2-yl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-ethylthiophen-2-yl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-ethyl-2-thienyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-ethyl-2-thiophenyl)-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (5-ethylthiophen-2-yl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-ethyl-2-thienyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]methanone Formula: C16H27N4O3S2+ MolecularWeight: 387.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H26N4O3S2/c1-3-14-4-5-15(24-14)16(21)18-8-12-20(13-9-18)25(22,23)19-10-6-17(2)7-11-19/h4-5H,3,6-13H2,1-2H3/p+1