3-[[(S)-(2-chloranyl-6-fluoranyl-phenyl)-cyano-methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-(2-chloranyl-6-fluoranyl-phenyl)-cyano-methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-(2-chloro-6-fluoro-phenyl)-cyano-methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-(2-chloro-6-fluorophenyl)-cyanomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-(2-chloro-6-fluorophenyl)-cyanomethyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-(2-chloro-6-fluoro-phenyl)-cyano-methyl]amino]propyl-dimethyl-ammonium Formula: C13H18ClFN3+ MolecularWeight: 270.753523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(C#N)C1=C(C=CC=C1Cl)F

Isomeric SMILES

C[NH+](C)CCCN[C@H](C#N)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H17ClFN3/c1-18(2)8-4-7-17-12(9-16)13-10(14)5-3-6-11(13)15/h3,5-6,12,17H,4,7-8H2,1-2H3/p+1/t12-/m1/s1