8-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Systemtic Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Openeye Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione CAS Name: 8-[4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]-8-azaspiro[4.5]decane-7,9-dione IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione Traditional Name: 8-[4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-quinone Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2/p+1