4-[4,4-bis(4-fluorophenyl)butyl]-N-methyl-1-(phenylmethyl)piperidin-1-ium-1-amine

Systemtic Name: 4-[4,4-bis(4-fluorophenyl)butyl]-N-methyl-1-(phenylmethyl)piperidin-1-ium-1-amine Openeye Name: 1-benzyl-4-[4,4-bis(4-fluorophenyl)butyl]-N-methyl-piperidin-1-ium-1-amine CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-N-methyl-1-(phenylmethyl)-1-piperidin-1-iumamine IUPAC Name: 1-benzyl-4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperidin-1-ium-1-amine Traditional Name: [1-benzyl-4-[4,4-bis(4-fluorophenyl)butyl]piperidin-1-ium-1-yl]-methyl-amine Formula: C29H35F2N2+ MolecularWeight: 449.598406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35F2N2/c1-32-33(22-24-6-3-2-4-7-24)20-18-23(19-21-33)8-5-9-29(25-10-14-27(30)15-11-25)26-12-16-28(31)17-13-26/h2-4,6-7,10-17,23,29,32H,5,8-9,18-22H2,1H3/q+1