[azanyl-[4-(azepan-1-ium-1-ylmethyl)-3-fluoranyl-phenyl]methylidene]azanium

Systemtic Name: [azanyl-[4-(azepan-1-ium-1-ylmethyl)-3-fluoranyl-phenyl]methylidene]azanium Openeye Name: [amino-[4-(azepan-1-ium-1-ylmethyl)-3-fluoro-phenyl]methylene]ammonium CAS Name: [amino-[4-(1-azepan-1-iumylmethyl)-3-fluorophenyl]methylidene]ammonium IUPAC Name: [amino-[4-(azepan-1-ium-1-ylmethyl)-3-fluorophenyl]methylidene]azanium Traditional Name: [amino-[4-(azepan-1-ium-1-ylmethyl)-3-fluoro-phenyl]methylene]ammonium Formula: C14H22FN3+2 MolecularWeight: 251.342983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C(=[NH2+])N)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C(=[NH2+])N)F

InChI

InChI=1S/C14H20FN3/c15-13-9-11(14(16)17)5-6-12(13)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H3,16,17)/p+2