2-(1-ethyl-4-piperazin-1-yl-piperidin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-ethyl-4-piperazin-1-yl-piperidin-1-ium-1-yl)ethanoate Openeye Name: 2-(1-ethyl-4-piperazin-1-yl-piperidin-1-ium-1-yl)acetate CAS Name: 2-[1-ethyl-4-(1-piperazinyl)-1-piperidin-1-iumyl]acetate IUPAC Name: 2-(1-ethyl-4-piperazin-1-ylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-(1-ethyl-4-piperazino-piperidin-1-ium-1-yl)acetate Formula: C13H25N3O2 MolecularWeight: 255.3565

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCNCC2)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCNCC2)CC(=O)[O-]

InChI

InChI=1S/C13H25N3O2/c1-2-16(11-13(17)18)9-3-12(4-10-16)15-7-5-14-6-8-15/h12,14H,2-11H2,1H3