[4-(azepan-1-ium-1-ylmethyl)-3-fluoranyl-phenyl]methylazanium

Systemtic Name: [4-(azepan-1-ium-1-ylmethyl)-3-fluoranyl-phenyl]methylazanium Openeye Name: [4-(azepan-1-ium-1-ylmethyl)-3-fluoro-phenyl]methylammonium CAS Name: [4-(1-azepan-1-iumylmethyl)-3-fluorophenyl]methylammonium IUPAC Name: [4-(azepan-1-ium-1-ylmethyl)-3-fluorophenyl]methylazanium Traditional Name: [4-(azepan-1-ium-1-ylmethyl)-3-fluoro-benzyl]ammonium Formula: C14H23FN2+2 MolecularWeight: 238.344223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C14H21FN2/c15-14-9-12(10-16)5-6-13(14)11-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10-11,16H2/p+2