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

Systemtic Name: 7-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[4-[1-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[4-[1-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C19H29N6O2+ MolecularWeight: 373.47256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)N(C(=O)N2)CCCC[N+]3(CCNCC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)CCCC[N+]3(CCNCC3)C4=NC=CC=N4

InChI

InChI=1S/C19H28N6O2/c26-16-19(6-1-2-7-19)23-18(27)24(16)12-3-4-13-25(14-10-20-11-15-25)17-21-8-5-9-22-17/h5,8-9,20H,1-4,6-7,10-15H2/p+1