4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoate

Systemtic Name: 4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoate Openeye Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoate CAS Name: 4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanoate IUPAC Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoate Traditional Name: 4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyrate Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H17N3O3/c17-12(4-5-13(18)19)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4-5,7-10H2,(H,18,19)