[1-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(2-fluoro-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(2-fluoro-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(2-fluoro-5-methoxy-benzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C23H36FN3O2+2 MolecularWeight: 405.549243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C23H34FN3O2/c1-29-21-4-5-22(24)19(16-21)17-25-12-8-20(9-13-25)26-14-6-18(7-15-26)23(28)27-10-2-3-11-27/h4-5,16,18,20H,2-3,6-15,17H2,1H3/p+2