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

Systemtic Name: 7-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C18H23N5O3/c24-15(13-23-16(25)18(20-17(23)26)5-1-2-6-18)22-11-9-21(10-12-22)14-3-7-19-8-4-14/h3-4,7-8H,1-2,5-6,9-13H2,(H,20,26)/p+1