5-oxidanylidene-5-(4-propan-2-ylpiperazin-4-ium-1-yl)pentanoate

Systemtic Name: 5-oxidanylidene-5-(4-propan-2-ylpiperazin-4-ium-1-yl)pentanoate Openeye Name: 5-(4-isopropylpiperazin-4-ium-1-yl)-5-oxo-pentanoate CAS Name: 5-oxo-5-(4-propan-2-yl-1-piperazin-4-iumyl)pentanoate IUPAC Name: 5-oxo-5-(4-propan-2-ylpiperazin-4-ium-1-yl)pentanoate Traditional Name: 5-(4-isopropylpiperazin-4-ium-1-yl)-5-keto-valerate Formula: C12H22N2O3 MolecularWeight: 242.31468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H22N2O3/c1-10(2)13-6-8-14(9-7-13)11(15)4-3-5-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)