2-[1-ethyl-4-[4-[3-(pyridin-2-ylamino)propyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-[4-[3-(pyridin-2-ylamino)propyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-[4-[3-(2-pyridylamino)propyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-[4-[3-(2-pyridinylamino)propyl]-1-piperazinyl]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-4-[4-[3-(pyridin-2-ylamino)propyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-[4-[3-(2-pyridylamino)propyl]piperazino]piperidin-1-ium-1-yl]acetate Formula: C21H35N5O2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(CC2)CCCNC3=CC=CC=N3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(CC2)CCCNC3=CC=CC=N3)CC(=O)[O-]

InChI

InChI=1S/C21H35N5O2/c1-2-26(18-21(27)28)16-7-19(8-17-26)25-14-12-24(13-15-25)11-5-10-23-20-6-3-4-9-22-20/h3-4,6,9,19H,2,5,7-8,10-18H2,1H3,(H-,22,23,27,28)