7-[4-oxidanylidene-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione

Systemtic Name: 7-[4-oxidanylidene-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[4-oxo-4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[4-oxo-4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[4-oxo-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[4-keto-4-[4-(3-thenyl)piperazin-4-ium-1-yl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H28N4O3S/c25-17(23-11-9-22(10-12-23)14-16-5-13-28-15-16)4-3-8-24-18(26)20(21-19(24)27)6-1-2-7-20/h5,13,15H,1-4,6-12,14H2,(H,21,27)/p+1