[(2S)-1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[2-(3-bromo-4-methyl-anilino)thiazol-4-yl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[2-(3-bromo-4-methylanilino)-4-thiazolyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(3-bromo-4-methylanilino)-1,3-thiazol-4-yl]propan-2-yl]azanium Traditional Name: [(1S)-2-[2-(3-bromo-4-methyl-anilino)thiazol-4-yl]-1-methyl-ethyl]ammonium Formula: C13H17BrN3S+ MolecularWeight: 327.26318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=CS2)CC(C)[NH3+])Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=CS2)C[C@H](C)[NH3+])Br

InChI

InChI=1S/C13H16BrN3S/c1-8-3-4-10(6-12(8)14)16-13-17-11(7-18-13)5-9(2)15/h3-4,6-7,9H,5,15H2,1-2H3,(H,16,17)/p+1/t9-/m0/s1