tert-butyl 1-ethylspiro[5,6-dihydrocyclopenta[c]pyrazol-1-ium-4,4'-piperidine]-1-carboxylate

Systemtic Name: tert-butyl 1-ethylspiro[5,6-dihydrocyclopenta[c]pyrazol-1-ium-4,4'-piperidine]-1-carboxylate Openeye Name: tert-butyl 1-ethylspiro[5,6-dihydrocyclopenta[c]pyrazol-1-ium-4,4'-piperidine]-1-carboxylate CAS Name: 1-ethyl-1-spiro[5,6-dihydrocyclopenta[c]pyrazol-1-ium-4,4'-piperidine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-ethylspiro[5,6-dihydrocyclopenta[c]pyrazol-1-ium-4,4'-piperidine]-1-carboxylate Traditional Name: 1-ethylspiro[5,6-dihydrocyclopenta[c]pyrazol-1-ium-4,4'-piperidine]-1-carboxylic acid tert-butyl ester Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=N1)C3(CC2)CCNCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC[N+]1(C2=C(C=N1)C3(CC2)CCNCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H28N3O2/c1-5-20(15(21)22-16(2,3)4)14-6-7-17(13(14)12-19-20)8-10-18-11-9-17/h12,18H,5-11H2,1-4H3/q+1