diethyl-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]ethyl]ammonium Formula: C22H27FN3OS+ MolecularWeight: 400.532683

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26FN3OS/c1-3-25(4-2)15-16-26(20(27)14-13-17-9-6-5-7-10-17)22-24-21-18(23)11-8-12-19(21)28-22/h5-12H,3-4,13-16H2,1-2H3/p+1