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

Systemtic Name: 4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazin-4-ium-2,6-dione Openeye Name: 4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazin-4-ium-2,6-dione CAS Name: 4,4-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]piperazin-4-ium-2,6-dione IUPAC Name: 4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazin-4-ium-2,6-dione Traditional Name: 4,4-dimethyl-1-[4-[4-(2-pyrimidyl)piperazino]butyl]piperazin-4-ium-2,6-quinone Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

C[N+]1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H29N6O2/c1-24(2)14-16(25)23(17(26)15-24)9-4-3-8-21-10-12-22(13-11-21)18-19-6-5-7-20-18/h5-7H,3-4,8-15H2,1-2H3/q+1