2-fluoranyl-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-5,6-dipropoxy-3H-inden-1-one

Systemtic Name: 2-fluoranyl-2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-5,6-dipropoxy-3H-inden-1-one Openeye Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-2-fluoro-5,6-dipropoxy-indan-1-one CAS Name: 2-fluoro-2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-5,6-dipropoxy-3H-inden-1-one IUPAC Name: 2-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-2-fluoro-5,6-dipropoxy-3H-inden-1-one Traditional Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-2-fluoro-5,6-dipropoxy-indan-1-one Formula: C28H37FNO3+ MolecularWeight: 454.596683

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)CC(C2=O)(C3CC[N+](CC3)(C)CC4=CC=CC=C4)F)OCCC

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)CC(C2=O)(C3CC[N+](CC3)(C)CC4=CC=CC=C4)F)OCCC

InChI

InChI=1S/C28H37FNO3/c1-4-15-32-25-17-22-19-28(29,27(31)24(22)18-26(25)33-16-5-2)23-11-13-30(3,14-12-23)20-21-9-7-6-8-10-21/h6-10,17-18,23H,4-5,11-16,19-20H2,1-3H3/q+1