8-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-methyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C17H27N5O4S2+2 MolecularWeight: 429.55738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H25N5O4S2/c1-19-6-4-17(5-7-19)15(23)22(16(24)18-17)13-20-8-10-21(11-9-20)28(25,26)14-3-2-12-27-14/h2-3,12H,4-11,13H2,1H3,(H,18,24)/p+2