1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H21FN3OS+ MolecularWeight: 358.452943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+](C)CC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C19H20FN3OS/c1-12-8-9-14(10-15(12)20)21-19(24)13(2)23(3)11-18-22-16-6-4-5-7-17(16)25-18/h4-10,13H,11H2,1-3H3,(H,21,24)/p+1/t13-/m0/s1