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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H23N5O3/c24-15(13-23-16(25)18(20-17(23)26)6-2-3-7-18)22-11-9-21(10-12-22)14-5-1-4-8-19-14/h1,4-5,8H,2-3,6-7,9-13H2,(H,20,26)/p+1