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

Systemtic Name: 3-azanyl-N-(4-chlorophenyl)-5-methyl-N'-(3-morpholin-4-ylpropyl)-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N-(4-chlorophenyl)-5-methyl-N'-(3-morpholinopropyl)isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N-(4-chlorophenyl)-5-methyl-N'-[3-(4-morpholinyl)propyl]-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N-(4-chlorophenyl)-5-methyl-N'-(3-morpholin-4-ylpropyl)-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N-(4-chlorophenyl)-5-methyl-N'-(3-morpholinopropyl)isothiazol-2-ium-2-carboxamidine Formula: C18H25ClN5OS+ MolecularWeight: 394.942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5OS/c1-14-13-17(20)24(26-14)18(22-16-5-3-15(19)4-6-16)21-7-2-8-23-9-11-25-12-10-23/h3-6,13,20H,2,7-12H2,1H3,(H,21,22)/p+1