(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(2-chloro-6-fluoro-phenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(2-chloro-6-fluorophenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(2-chloro-6-fluorophenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(2-chloro-6-fluoro-benzyl)-methyl-ammonium Formula: C17H18ClFN3O2S+ MolecularWeight: 382.860123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H17ClFN3O2S/c1-3-24-17(23)15-11(10(7-20)16(21)25-15)8-22(2)9-12-13(18)5-4-6-14(12)19/h4-6H,3,8-9,21H2,1-2H3/p+1