3-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C20H30FN2O2+ MolecularWeight: 349.462803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3)F

InChI

InChI=1S/C20H29FN2O2/c1-25-19-14-17(4-6-18(19)21)15-22-12-8-16(9-13-22)5-7-20(24)23-10-2-3-11-23/h4,6,14,16H,2-3,5,7-13,15H2,1H3/p+1