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

Systemtic Name: 5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate Openeye Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate CAS Name: 5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanoate IUPAC Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoate Traditional Name: 5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)valerate Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c18-13(5-3-6-14(19)20)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11H2,(H,19,20)