tert-butyl N-[[1-(2-bromoethyl)pyridin-1-ium-4-yl]methyl]carbamate bromide

Systemtic Name: tert-butyl N-[[1-(2-bromoethyl)pyridin-1-ium-4-yl]methyl]carbamate bromide Openeye Name: tert-butyl N-[[1-(2-bromoethyl)pyridin-1-ium-4-yl]methyl]carbamate bromide CAS Name: N-[[1-(2-bromoethyl)-4-pyridin-1-iumyl]methyl]carbamic acid tert-butyl ester bromide IUPAC Name: tert-butyl N-[[1-(2-bromoethyl)pyridin-1-ium-4-yl]methyl]carbamate bromide Traditional Name: N-[[1-(2-bromoethyl)pyridin-1-ium-4-yl]methyl]carbamic acid tert-butyl ester bromide Formula: C13H20Br2N2O2 MolecularWeight: 396.1181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=[N+](C=C1)CCBr.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=[N+](C=C1)CCBr.[Br-]

InChI

InChI=1S/C13H19BrN2O2.BrH/c1-13(2,3)18-12(17)15-10-11-4-7-16(8-5-11)9-6-14;/h4-5,7-8H,6,9-10H2,1-3H3;1H