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

Systemtic Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C18H26N3O4S2+ MolecularWeight: 412.54674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H25N3O4S2/c22-15-13-18(6-2-1-3-7-18)17(23)21(15)14-19-8-10-20(11-9-19)27(24,25)16-5-4-12-26-16/h4-5,12H,1-3,6-11,13-14H2/p+1