2-[1-ethyl-4-[4-[2-[(1-oxidanylpyridin-2-ylidene)amino]ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-ethyl-4-[4-[2-[(1-oxidanylpyridin-2-ylidene)amino]ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[1-ethyl-4-[4-[2-[(1-hydroxy-2-pyridylidene)amino]ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-ethyl-4-[4-[2-[(1-hydroxy-2-pyridinylidene)amino]ethyl]-1-piperazinyl]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-ethyl-4-[4-[2-[(1-hydroxypyridin-2-ylidene)amino]ethyl]piperazin-1-yl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-ethyl-4-[4-[2-[(1-hydroxy-2-pyridylidene)amino]ethyl]piperazino]piperidin-1-ium-1-yl]acetate Formula: C20H33N5O3 MolecularWeight: 391.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(CC2)CCN=C3C=CC=CN3O)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(CC2)CCN=C3C=CC=CN3O)CC(=O)[O-]

InChI

InChI=1S/C20H33N5O3/c1-2-25(17-20(26)27)15-6-18(7-16-25)23-13-11-22(12-14-23)10-8-21-19-5-3-4-9-24(19)28/h3-5,9,18,28H,2,6-8,10-17H2,1H3