(2-chloranyl-6-fluoranyl-phenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C16H16ClFN3OS+ MolecularWeight: 352.834143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H15ClFN3OS/c1-21(10-12-13(17)3-2-4-14(12)18)7-5-15(22)20-16-11(9-19)6-8-23-16/h2-4,6,8H,5,7,10H2,1H3,(H,20,22)/p+1