tert-butyl 4-(5-methanoylpyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methanoylpyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-formylpyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(5-formyl-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-formylpyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-formylpyridin-1-ium-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C=O

InChI

InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-5-4-12(11-19)10-16-13/h4-5,10-11H,6-9H2,1-3H3/p+1