[azanyl-[3-fluoranyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylidene]azanium

Systemtic Name: [azanyl-[3-fluoranyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylidene]azanium Openeye Name: [amino-[3-fluoro-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylene]ammonium CAS Name: [amino-[3-fluoro-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methylidene]ammonium IUPAC Name: [amino-[3-fluoro-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylidene]azanium Traditional Name: [amino-[3-fluoro-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methylene]ammonium Formula: C14H22FN3+2 MolecularWeight: 251.342983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C(C=C2)C(=[NH2+])N)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=C(C=C2)C(=[NH2+])N)F

InChI

InChI=1S/C14H20FN3/c1-10-3-2-6-18(8-10)9-12-5-4-11(14(16)17)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H3,16,17)/p+2/t10-/m0/s1