2-[N-(3-chloranyl-4-fluoranyl-phenyl)-C-(4-methylpiperidin-1-yl)carbonimidoyl]-5-methyl-1,2-thiazol-2-ium-3-amine

Systemtic Name: 2-[N-(3-chloranyl-4-fluoranyl-phenyl)-C-(4-methylpiperidin-1-yl)carbonimidoyl]-5-methyl-1,2-thiazol-2-ium-3-amine Openeye Name: 2-[N-(3-chloro-4-fluoro-phenyl)-C-(4-methyl-1-piperidyl)carbonimidoyl]-5-methyl-isothiazol-2-ium-3-amine CAS Name: 2-[(3-chloro-4-fluorophenyl)imino-(4-methyl-1-piperidinyl)methyl]-5-methyl-3-isothiazol-2-iumamine IUPAC Name: 2-[N-(3-chloro-4-fluorophenyl)-C-(4-methylpiperidin-1-yl)carbonimidoyl]-5-methyl-1,2-thiazol-2-ium-3-amine Traditional Name: [2-[N-(3-chloro-4-fluoro-phenyl)-C-(4-methylpiperidino)carbonimidoyl]-5-methyl-isothiazol-2-ium-3-yl]amine Formula: C17H21ClFN4S+ MolecularWeight: 367.891843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=NC2=CC(=C(C=C2)F)Cl)[N+]3=C(C=C(S3)C)N

Isomeric SMILES

CC1CCN(CC1)C(=NC2=CC(=C(C=C2)F)Cl)[N+]3=C(C=C(S3)C)N

InChI

InChI=1S/C17H20ClFN4S/c1-11-5-7-22(8-6-11)17(23-16(20)9-12(2)24-23)21-13-3-4-15(19)14(18)10-13/h3-4,9-11,20H,5-8H2,1-2H3/p+1