2-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-2,4-diazaspiro[4.5]decane-1,3-dione

Systemtic Name: 2-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-2,4-diazaspiro[4.5]decane-1,3-dione Openeye Name: 2-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-2,4-diazaspiro[4.5]decane-1,3-dione CAS Name: 2-[4-[1-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]-2,4-diazaspiro[4.5]decane-1,3-dione IUPAC Name: 2-[4-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-2,4-diazaspiro[4.5]decane-1,3-dione Traditional Name: 2-[4-[1-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]-2,4-diazaspiro[4.5]decane-1,3-quinone Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=O)N(C(=O)N2)CCCC[N+]3(CCNCC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2(CC1)C(=O)N(C(=O)N2)CCCC[N+]3(CCNCC3)C4=NC=CC=N4

InChI

InChI=1S/C20H30N6O2/c27-17-20(7-2-1-3-8-20)24-19(28)25(17)13-4-5-14-26(15-11-21-12-16-26)18-22-9-6-10-23-18/h6,9-10,21H,1-5,7-8,11-16H2/p+1