[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(4-fluoranyl-3-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(4-fluoranyl-3-methoxy-phenyl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(4-fluoro-3-methoxy-phenyl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[(4-fluoro-3-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(4-fluoro-3-methoxyphenyl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(4-fluoro-3-methoxy-benzyl)ammonium Formula: C21H30FN3O+2 MolecularWeight: 359.480803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3)F

InChI

InChI=1S/C21H28FN3O/c1-26-20-14-17(9-10-19(20)22)15-23-16-18-8-7-11-24-21(18)25-12-5-3-2-4-6-13-25/h7-11,14,23H,2-6,12-13,15-16H2,1H3/p+2