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

Systemtic Name: 7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2(C1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C16H22N6O2/c23-13-16(4-1-2-5-16)19-15(24)22(13)12-20-8-10-21(11-9-20)14-17-6-3-7-18-14/h3,6-7H,1-2,4-5,8-12H2,(H,19,24)/p+1