3-[(4-methylpiperazin-4-ium-1-yl)methylidene]pentane-2,4-dione

Systemtic Name: 3-[(4-methylpiperazin-4-ium-1-yl)methylidene]pentane-2,4-dione Openeye Name: 3-[(4-methylpiperazin-4-ium-1-yl)methylene]pentane-2,4-dione CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)methylidene]pentane-2,4-dione IUPAC Name: 3-[(4-methylpiperazin-4-ium-1-yl)methylidene]pentane-2,4-dione Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)methylene]pentane-2,4-dione Formula: C11H19N2O2+ MolecularWeight: 211.28076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN1CC[NH+](CC1)C)C(=O)C

Isomeric SMILES

CC(=O)C(=CN1CC[NH+](CC1)C)C(=O)C

InChI

InChI=1S/C11H18N2O2/c1-9(14)11(10(2)15)8-13-6-4-12(3)5-7-13/h8H,4-7H2,1-3H3/p+1