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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](CC2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](CC2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C19H20FN3O2S/c1-2-25-19(24)17-16(15(9-21)18(22)26-17)11-23(14-7-8-14)10-12-3-5-13(20)6-4-12/h3-6,14H,2,7-8,10-11,22H2,1H3/p+1