tert-butyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-ethoxy-2-oxo-ethyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C[N+]1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=CC=N2

InChI

InChI=1S/C19H30N3O4/c1-5-25-17(23)15-22(14-16-8-6-7-9-20-16)12-10-21(11-13-22)18(24)26-19(2,3)4/h6-9H,5,10-15H2,1-4H3/q+1