1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]ammonium Formula: C16H15ClFN2S+ MolecularWeight: 321.820103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)[NH2+]CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)F)Cl)[NH2+]CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14ClFN2S/c1-10(11-6-7-13(18)12(17)8-11)19-9-16-20-14-4-2-3-5-15(14)21-16/h2-8,10,19H,9H2,1H3/p+1/t10-/m0/s1