4-oxidanylidene-4-[[4-oxidanylidene-4-(pyridin-1-ium-4-ylamino)butyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[4-oxidanylidene-4-(pyridin-1-ium-4-ylamino)butyl]amino]butanoate Openeye Name: 4-oxo-4-[[4-oxo-4-(pyridin-1-ium-4-ylamino)butyl]amino]butanoate CAS Name: 4-oxo-4-[[4-oxo-4-(4-pyridin-1-iumylamino)butyl]amino]butanoate IUPAC Name: 4-oxo-4-[[4-oxo-4-(pyridin-1-ium-4-ylamino)butyl]amino]butanoate Traditional Name: 4-keto-4-[[4-keto-4-(pyridin-1-ium-4-ylamino)butyl]amino]butyrate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1NC(=O)CCCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1NC(=O)CCCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H17N3O4/c17-11(3-4-13(19)20)15-7-1-2-12(18)16-10-5-8-14-9-6-10/h5-6,8-9H,1-4,7H2,(H,15,17)(H,19,20)(H,14,16,18)