ethyl 3-[2-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1-piperidin-4-yl-piperazin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[2-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1-piperidin-4-yl-piperazin-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-isopropoxy-2-oxo-ethyl)-2-oxo-1-(4-piperidyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[2-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-1-(4-piperidinyl)-1-piperazin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-1-piperidin-4-ylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[3-(2-isopropoxy-2-keto-ethyl)-2-keto-1-(4-piperidyl)piperazin-1-ium-1-yl]propionic acid ethyl ester Formula: C19H34N3O5+ MolecularWeight: 384.49036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1(CCNC(C1=O)CC(=O)OC(C)C)C2CCNCC2

Isomeric SMILES

CCOC(=O)CC[N+]1(CCNC(C1=O)CC(=O)OC(C)C)C2CCNCC2

InChI

InChI=1S/C19H34N3O5/c1-4-26-17(23)7-11-22(15-5-8-20-9-6-15)12-10-21-16(19(22)25)13-18(24)27-14(2)3/h14-16,20-21H,4-13H2,1-3H3/q+1