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

Systemtic Name: ethyl 3-[2-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]piperazin-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-isopropoxy-2-oxo-ethyl)-2-oxo-1-[1-[2-(4-piperidyl)ethyl]-4-piperidyl]piperazin-1-ium-1-yl]propanoate CAS Name: 3-[2-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-1-[1-[2-(4-piperidinyl)ethyl]-4-piperidinyl]-1-piperazin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[3-(2-isopropoxy-2-keto-ethyl)-2-keto-1-[1-[2-(4-piperidyl)ethyl]-4-piperidyl]piperazin-1-ium-1-yl]propionic acid ethyl ester Formula: C26H47N4O5+ MolecularWeight: 495.67518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1(CCNC(C1=O)CC(=O)OC(C)C)C2CCN(CC2)CCC3CCNCC3

Isomeric SMILES

CCOC(=O)CC[N+]1(CCNC(C1=O)CC(=O)OC(C)C)C2CCN(CC2)CCC3CCNCC3

InChI

InChI=1S/C26H47N4O5/c1-4-34-24(31)10-17-30(18-13-28-23(26(30)33)19-25(32)35-20(2)3)22-8-15-29(16-9-22)14-7-21-5-11-27-12-6-21/h20-23,27-28H,4-19H2,1-3H3/q+1