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

Systemtic Name: [(4S)-4-[(2-chloranyl-4-fluoranyl-phenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(2-chloro-4-fluoro-phenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(2-chloro-4-fluorophenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(2-chloro-4-fluorophenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(2-chloro-4-fluoro-benzyl)ammonio]pentyl]-diethyl-ammonium Formula: C16H28ClFN2+2 MolecularWeight: 302.858323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClFN2/c1-4-20(5-2)10-6-7-13(3)19-12-14-8-9-15(18)11-16(14)17/h8-9,11,13,19H,4-7,10,12H2,1-3H3/p+2/t13-/m0/s1