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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C18H21FN3O3S+ MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C18H20FN3O3S/c1-4-25-18(23)16-13(12(8-20)17(21)26-16)10-22(2)9-11-5-6-15(24-3)14(19)7-11/h5-7H,4,9-10,21H2,1-3H3/p+1