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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(2-fluorophenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(2-fluorophenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(2-fluorophenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(2-fluorophenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(2-fluorobenzyl)-methyl-ammonium Formula: C17H19FN3O2S+ MolecularWeight: 348.415063

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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=CC=C2F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=CC=C2F

InChI

InChI=1S/C17H18FN3O2S/c1-3-23-17(22)15-13(12(8-19)16(20)24-15)10-21(2)9-11-6-4-5-7-14(11)18/h4-7H,3,9-10,20H2,1-2H3/p+1