8-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione

Systemtic Name: 8-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione Openeye Name: 8-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione CAS Name: 8-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione IUPAC Name: 8-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-8-azaspiro[4.4]nonane-7,9-dione Traditional Name: 8-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-quinone Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2(C1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H23N5O2/c23-14-12-17(4-1-2-5-17)15(24)22(14)13-20-8-10-21(11-9-20)16-18-6-3-7-19-16/h3,6-7H,1-2,4-5,8-13H2/p+1