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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C19H23FN3O3S+ MolecularWeight: 392.467623

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C19H22FN3O3S/c1-4-23(10-12-6-7-16(25-3)15(20)8-12)11-14-13(9-21)18(22)27-17(14)19(24)26-5-2/h6-8H,4-5,10-11,22H2,1-3H3/p+1