3-[(2,5-dimethylpyrazol-3-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2,5-dimethylpyrazol-3-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C18H23FN5OS+ MolecularWeight: 376.471523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

InChI

InChI=1S/C18H22FN5OS/c1-12-11-14(23(4)21-12)17(25)24(10-6-9-22(2)3)18-20-16-13(19)7-5-8-15(16)26-18/h5,7-8,11H,6,9-10H2,1-4H3/p+1