1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]-4-(2-thienyl)butane-1,4-dione Formula: C17H27N4O4S2+ MolecularWeight: 415.55068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H26N4O4S2/c1-18-6-10-20(11-7-18)27(24,25)21-12-8-19(9-13-21)17(23)5-4-15(22)16-3-2-14-26-16/h2-3,14H,4-13H2,1H3/p+1