7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione

Systemtic Name: 7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c25-17(15-24-18(26)20(21-19(24)27)8-4-5-9-20)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,21,27)/p+1