3,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5-oxidanylidene-pentanoate

Systemtic Name: 3,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-(4-methyl-1-piperazin-4-iumyl)-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanoate Traditional Name: 5-keto-3,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)valerate Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CC[NH+](CC1)C)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CC[NH+](CC1)C)CC(=O)[O-]

InChI

InChI=1S/C12H22N2O3/c1-12(2,9-11(16)17)8-10(15)14-6-4-13(3)5-7-14/h4-9H2,1-3H3,(H,16,17)