2-[1-ethyl-4-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-[4-[2-(2-pyridylamino)ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-[4-[2-(2-pyridinylamino)ethyl]-1-piperazinyl]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-4-[4-[2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-[4-[2-(2-pyridylamino)ethyl]piperazino]piperidin-1-ium-1-yl]acetate Formula: C20H33N5O2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(CC2)CCNC3=CC=CC=N3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(CC2)CCNC3=CC=CC=N3)CC(=O)[O-]

InChI

InChI=1S/C20H33N5O2/c1-2-25(17-20(26)27)15-6-18(7-16-25)24-13-11-23(12-14-24)10-9-22-19-5-3-4-8-21-19/h3-5,8,18H,2,6-7,9-17H2,1H3,(H-,21,22,26,27)