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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)C1)CCCC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CC(=O)N(C(=O)C1)CCCC[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H25N5O2/c23-15-5-3-6-16(24)22(15)10-2-1-9-20-11-13-21(14-12-20)17-18-7-4-8-19-17/h4,7-8H,1-3,5-6,9-14H2/p+1