tert-butyl 4-[[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-ethoxy-2-oxoethyl)-2-pyridin-1-iumyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-2-yl]methyl]piperazine-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=CC=CC=C1CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC=C1CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

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