3-(dimethylazaniumyl)propyl-[(2-fluoranyl-5-methoxy-phenyl)methyl]-(furan-2-ylmethyl)azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(2-fluoranyl-5-methoxy-phenyl)methyl]-(furan-2-ylmethyl)azanium Openeye Name: 3-(dimethylammonio)propyl-[(2-fluoro-5-methoxy-phenyl)methyl]-(2-furylmethyl)ammonium CAS Name: 3-(dimethylammonio)propyl-[(2-fluoro-5-methoxyphenyl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(2-fluoro-5-methoxyphenyl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: 3-(dimethylammonio)propyl-(2-fluoro-5-methoxy-benzyl)-(2-furfuryl)ammonium Formula: C18H27FN2O2+2 MolecularWeight: 322.417583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CC1=CC=CO1)CC2=C(C=CC(=C2)OC)F

Isomeric SMILES

C[NH+](C)CCC[NH+](CC1=CC=CO1)CC2=C(C=CC(=C2)OC)F

InChI

InChI=1S/C18H25FN2O2/c1-20(2)9-5-10-21(14-17-6-4-11-23-17)13-15-12-16(22-3)7-8-18(15)19/h4,6-8,11-12H,5,9-10,13-14H2,1-3H3/p+2