tert-butyl 1-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]piperidin-1-ium-1-carboxylate CAS Name: 1-[(5-chloro-6-ethyl-4-pyrimidinyl)amino]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-ium-1-carboxylate Traditional Name: 1-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H26ClN4O2+ MolecularWeight: 341.85624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)N[N+]2(CCCCC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)N[N+]2(CCCCC2)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C16H26ClN4O2/c1-5-12-13(17)14(19-11-18-12)20-21(9-7-6-8-10-21)15(22)23-16(2,3)4/h11H,5-10H2,1-4H3,(H,18,19,20)/q+1