1-methyl-4-[2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1-(phenylmethyl)piperidin-1-ium dibromide

Systemtic Name: 1-methyl-4-[2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1-(phenylmethyl)piperidin-1-ium dibromide Openeye Name: 1-benzyl-4-[2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)ethyl]-1-methyl-piperidin-1-ium dibromide CAS Name: 1-methyl-4-[2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-1-(phenylmethyl)piperidin-1-ium dibromide IUPAC Name: 1-benzyl-4-[2-(1-benzyl-1-methylpiperidin-1-ium-4-yl)ethyl]-1-methylpiperidin-1-ium dibromide Traditional Name: 1-benzyl-4-[2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)ethyl]-1-methyl-piperidin-1-ium dibromide Formula: C28H42Br2N2 MolecularWeight: 566.45448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CCC2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)CCC2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C28H42N2.2BrH/c1-29(23-27-9-5-3-6-10-27)19-15-25(16-20-29)13-14-26-17-21-30(2,22-18-26)24-28-11-7-4-8-12-28;;/h3-12,25-26H,13-24H2,1-2H3;2*1H/q+2;;/p-2