[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C16H17FN3O2S+ MolecularWeight: 334.388483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H16FN3O2S/c1-20(9-11-3-4-14(22-2)13(17)7-11)10-15(21)19-16-12(8-18)5-6-23-16/h3-7H,9-10H2,1-2H3,(H,19,21)/p+1