4-ethyl-4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]piperidine-2,6-dione

Systemtic Name: 4-ethyl-4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]piperidine-2,6-dione Openeye Name: 4-ethyl-4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]piperidine-2,6-dione CAS Name: 4-ethyl-4-methyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]piperidine-2,6-dione IUPAC Name: 4-ethyl-4-methyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]piperidine-2,6-dione Traditional Name: 4-ethyl-4-methyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]piperidine-2,6-quinone Formula: C17H26N5O2+ MolecularWeight: 332.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C17H25N5O2/c1-3-17(2)11-14(23)22(15(24)12-17)13-20-7-9-21(10-8-20)16-18-5-4-6-19-16/h4-6H,3,7-13H2,1-2H3/p+1