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

Systemtic Name: 7-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C20H28N5O3+ MolecularWeight: 386.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3/c26-17(24-14-12-23(13-15-24)16-6-1-4-10-21-16)7-5-11-25-18(27)20(22-19(25)28)8-2-3-9-20/h1,4,6,10H,2-3,5,7-9,11-15H2,(H,22,28)/p+1