2-[1-[(3-fluorophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-6-oxidanyl-2,3-dihydroinden-1-one

Systemtic Name: 2-[1-[(3-fluorophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-6-oxidanyl-2,3-dihydroinden-1-one Openeye Name: 2-[1-[(3-fluorophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-6-hydroxy-indan-1-one CAS Name: 2-[1-[(3-fluorophenyl)methyl]-1-methyl-4-piperidin-1-iumyl]-6-hydroxy-2,3-dihydroinden-1-one IUPAC Name: 2-[1-[(3-fluorophenyl)methyl]-1-methylpiperidin-1-ium-4-yl]-6-hydroxy-2,3-dihydroinden-1-one Traditional Name: 2-[1-(3-fluorobenzyl)-1-methyl-piperidin-1-ium-4-yl]-6-hydroxy-indan-1-one Formula: C22H25FNO2+ MolecularWeight: 354.437803

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2CC3=C(C2=O)C=C(C=C3)O)CC4=CC(=CC=C4)F

Isomeric SMILES

C[N+]1(CCC(CC1)C2CC3=C(C2=O)C=C(C=C3)O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FNO2/c1-24(14-15-3-2-4-18(23)11-15)9-7-16(8-10-24)20-12-17-5-6-19(25)13-21(17)22(20)26/h2-6,11,13,16,20H,7-10,12,14H2,1H3/p+1