tert-butyl N-[(1S,2S)-2-methyl-1-(4-phenyl-5H-1,3-thiazol-1-ium-2-yl)butyl]carbamate bromide

Systemtic Name: tert-butyl N-[(1S,2S)-2-methyl-1-(4-phenyl-5H-1,3-thiazol-1-ium-2-yl)butyl]carbamate bromide Openeye Name: tert-butyl N-[(1S,2S)-2-methyl-1-(4-phenyl-5H-thiazol-1-ium-2-yl)butyl]carbamate bromide CAS Name: N-[(1S,2S)-2-methyl-1-(4-phenyl-5H-thiazol-1-ium-2-yl)butyl]carbamic acid tert-butyl ester bromide IUPAC Name: tert-butyl N-[(1S,2S)-2-methyl-1-(4-phenyl-5H-1,3-thiazol-1-ium-2-yl)butyl]carbamate bromide Traditional Name: N-[(1S,2S)-2-methyl-1-(4-phenyl-5H-thiazol-1-ium-2-yl)butyl]carbamic acid tert-butyl ester bromide Formula: C19H27BrN2O2S MolecularWeight: 427.39888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=[S+]CC(=N1)C2=CC=CC=C2)NC(=O)OC(C)(C)C.[Br-]

Isomeric SMILES

CC[C@H](C)[C@@H](C1=[S+]CC(=N1)C2=CC=CC=C2)NC(=O)OC(C)(C)C.[Br-]

InChI

InChI=1S/C19H26N2O2S.BrH/c1-6-13(2)16(21-18(22)23-19(3,4)5)17-20-15(12-24-17)14-10-8-7-9-11-14;/h7-11,13,16H,6,12H2,1-5H3;1H/t13-,16-;/m0./s1