1,3-benzothiazol-2-ylmethyl-[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H19FN3OS+ MolecularWeight: 344.426363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18FN3OS/c1-12(18(23)21-14-8-4-3-7-13(14)19)22(2)11-17-20-15-9-5-6-10-16(15)24-17/h3-10,12H,11H2,1-2H3,(H,21,23)/p+1/t12-/m1/s1