[2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(4-chloro-3-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(4-chloro-3-fluorophenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(4-chloro-3-fluoro-benzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C24H29ClFN2O3+ MolecularWeight: 447.950063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC(=C(C=C4)Cl)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C24H28ClFN2O3/c1-30-19-5-6-20(24(29)28-10-2-3-11-28)23(15-19)31-18-8-12-27(13-9-18)16-17-4-7-21(25)22(26)14-17/h4-7,14-15,18H,2-3,8-13,16H2,1H3/p+1