ethyl 2-[[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[(3R)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-piperidinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[(3R)-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C22H34N5O4+ MolecularWeight: 432.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC[C@@H](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H33N5O4/c1-2-31-21(29)16-24-22(30)27-11-5-6-18(17-27)8-9-20(28)26-14-12-25(13-15-26)19-7-3-4-10-23-19/h3-4,7,10,18H,2,5-6,8-9,11-17H2,1H3,(H,24,30)/p+1/t18-/m1/s1