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

Systemtic Name: 3-azanyl-N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-N'-(2-morpholin-4-ylethyl)-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-5-methyl-N'-(2-morpholinoethyl)isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N-(3-chloro-4-fluorophenyl)-5-methyl-N'-[2-(4-morpholinyl)ethyl]-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N-(3-chloro-4-fluorophenyl)-5-methyl-N'-(2-morpholin-4-ylethyl)-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N-(3-chloro-4-fluoro-phenyl)-5-methyl-N'-(2-morpholinoethyl)isothiazol-2-ium-2-carboxamidine Formula: C17H22ClFN5OS+ MolecularWeight: 398.905883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](S1)C(=NCCN2CCOCC2)NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CC1=CC(=[N+](S1)C(=NCCN2CCOCC2)NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C17H21ClFN5OS/c1-12-10-16(20)24(26-12)17(21-4-5-23-6-8-25-9-7-23)22-13-2-3-15(19)14(18)11-13/h2-3,10-11,20H,4-9H2,1H3,(H,21,22)/p+1