[(4S)-4-[(5-cyano-2-fluoranyl-phenyl)methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(5-cyano-2-fluoranyl-phenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(5-cyano-2-fluoro-phenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(5-cyano-2-fluorophenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(5-cyano-2-fluorophenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(5-cyano-2-fluoro-benzyl)ammonio]pentyl]-diethyl-ammonium Formula: C17H28FN3+2 MolecularWeight: 293.422723

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C17H26FN3/c1-4-21(5-2)10-6-7-14(3)20-13-16-11-15(12-19)8-9-17(16)18/h8-9,11,14,20H,4-7,10,13H2,1-3H3/p+2/t14-/m0/s1