2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2,4-diazaspiro[4.6]undecane-1,3-quinone Formula: C18H27N6O2+ MolecularWeight: 359.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H26N6O2/c25-15-18(6-3-1-2-4-7-18)21-17(26)24(15)14-22-10-12-23(13-11-22)16-19-8-5-9-20-16/h5,8-9H,1-4,6-7,10-14H2,(H,21,26)/p+1