4-oxidanylidene-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]butanoate Traditional Name: 4-[4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4/c1-10(2)14-11(17)9-15-5-7-16(8-6-15)12(18)3-4-13(19)20/h10H,3-9H2,1-2H3,(H,14,17)(H,19,20)