3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-N'-(3-morpholin-4-ylpropyl)-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-N'-(3-morpholin-4-ylpropyl)-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-5-methyl-N'-(3-morpholinopropyl)isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N-(3-chloro-4-fluorophenyl)-5-methyl-N'-[3-(4-morpholinyl)propyl]-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N-(3-chloro-4-fluorophenyl)-5-methyl-N'-(3-morpholin-4-ylpropyl)-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-5-methyl-N'-(3-morpholinopropyl)isothiazol-2-ium-2-carboxamidine Formula: C18H24ClFN5OS+ MolecularWeight: 412.932463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](S1)C(=NCCCN2CCOCC2)NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CC1=CC(=[N+](S1)C(=NCCCN2CCOCC2)NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C18H23ClFN5OS/c1-13-11-17(21)25(27-13)18(23-14-3-4-16(20)15(19)12-14)22-5-2-6-24-7-9-26-10-8-24/h3-4,11-12,21H,2,5-10H2,1H3,(H,22,23)/p+1