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

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H25N5O2/c24-15-13-18(5-2-1-3-6-18)16(25)23(15)14-21-9-11-22(12-10-21)17-19-7-4-8-20-17/h4,7-8H,1-3,5-6,9-14H2/p+1