tert-butyl 3-azanyl-3-(4-chloranylpyridin-1-ium-1-yl)propanoate

Systemtic Name: tert-butyl 3-azanyl-3-(4-chloranylpyridin-1-ium-1-yl)propanoate Openeye Name: tert-butyl 3-amino-3-(4-chloropyridin-1-ium-1-yl)propanoate CAS Name: 3-amino-3-(4-chloro-1-pyridin-1-iumyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-3-(4-chloropyridin-1-ium-1-yl)propanoate Traditional Name: 3-amino-3-(4-chloropyridin-1-ium-1-yl)propionic acid tert-butyl ester Formula: C12H18ClN2O2+ MolecularWeight: 257.73652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(N)[N+]1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CC(N)[N+]1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H18ClN2O2/c1-12(2,3)17-11(16)8-10(14)15-6-4-9(13)5-7-15/h4-7,10H,8,14H2,1-3H3/q+1