1,3-benzothiazol-2-ylmethyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C23H21FN3OS+ MolecularWeight: 406.495743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3OS/c1-27(15-21-26-19-9-5-6-10-20(19)29-21)22(16-7-3-2-4-8-16)23(28)25-18-13-11-17(24)12-14-18/h2-14,22H,15H2,1H3,(H,25,28)/p+1/t22-/m1/s1