tert-butyl 4-[2-[4-ethoxycarbonyl-2-oxidanylidene-3-(2-oxidanylideneethenyl)-3-piperidin-1-yl-imidazolidin-3-ium-4-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-ethoxycarbonyl-2-oxidanylidene-3-(2-oxidanylideneethenyl)-3-piperidin-1-yl-imidazolidin-3-ium-4-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-ethoxycarbonyl-2-oxo-3-(2-oxovinyl)-3-(1-piperidyl)imidazolidin-3-ium-4-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-ethoxycarbonyl-2-oxo-3-(2-oxoethenyl)-3-(1-piperidinyl)-4-imidazolidin-3-iumyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-ethoxycarbonyl-2-oxo-3-(2-oxoethenyl)-3-piperidin-1-ylimidazolidin-3-ium-4-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-carbethoxy-2-keto-3-(2-ketovinyl)-3-piperidino-imidazolidin-3-ium-4-yl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H41N4O6+ MolecularWeight: 493.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CNC(=O)[N+]1(C=C=O)N2CCCCC2)CCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1(CNC(=O)[N+]1(C=C=O)N2CCCCC2)CCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N4O6/c1-5-34-21(31)25(12-9-20-10-15-27(16-11-20)23(33)35-24(2,3)4)19-26-22(32)29(25,17-18-30)28-13-7-6-8-14-28/h17,20H,5-16,19H2,1-4H3/p+1