5-oxidanylidene-5-[(4-propylpiperazin-4-ium-1-yl)carbonylamino]pentanoate

Systemtic Name: 5-oxidanylidene-5-[(4-propylpiperazin-4-ium-1-yl)carbonylamino]pentanoate Openeye Name: 5-oxo-5-[(4-propylpiperazin-4-ium-1-carbonyl)amino]pentanoate CAS Name: 5-oxo-5-[[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]amino]pentanoate IUPAC Name: 5-oxo-5-[(4-propylpiperazin-4-ium-1-carbonyl)amino]pentanoate Traditional Name: 5-keto-5-[(4-propylpiperazin-4-ium-1-carbonyl)amino]valerate Formula: C13H23N3O4 MolecularWeight: 285.33942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4/c1-2-6-15-7-9-16(10-8-15)13(20)14-11(17)4-3-5-12(18)19/h2-10H2,1H3,(H,18,19)(H,14,17,20)