[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3-bromophenyl)-4-thiazolyl]methyl-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-[2-(tert-butylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3-bromophenyl)thiazol-4-yl]methyl-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H23BrN3OS+ MolecularWeight: 397.35302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CC1=CSC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CC1=CSC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H22BrN3OS/c1-17(2,3)20-15(22)10-21(4)9-14-11-23-16(19-14)12-6-5-7-13(18)8-12/h5-8,11H,9-10H2,1-4H3,(H,20,22)/p+1