2-[4-[2-[1-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-1-methyl-piperidin-1-ium-4-yl]ethyl]-1-methyl-piperidin-1-ium-1-yl]-2-phenyl-ethanamide dibromide

Systemtic Name: 2-[4-[2-[1-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-1-methyl-piperidin-1-ium-4-yl]ethyl]-1-methyl-piperidin-1-ium-1-yl]-2-phenyl-ethanamide dibromide Openeye Name: 2-[4-[2-[1-(2-amino-2-oxo-1-phenyl-ethyl)-1-methyl-piperidin-1-ium-4-yl]ethyl]-1-methyl-piperidin-1-ium-1-yl]-2-phenyl-acetamide dibromide CAS Name: 2-[4-[2-[1-(2-amino-2-oxo-1-phenylethyl)-1-methyl-4-piperidin-1-iumyl]ethyl]-1-methyl-1-piperidin-1-iumyl]-2-phenylacetamide dibromide IUPAC Name: 2-[4-[2-[1-(2-amino-2-oxo-1-phenylethyl)-1-methylpiperidin-1-ium-4-yl]ethyl]-1-methylpiperidin-1-ium-1-yl]-2-phenylacetamide dibromide Traditional Name: 2-[4-[2-[1-(2-amino-2-keto-1-phenyl-ethyl)-1-methyl-piperidin-1-ium-4-yl]ethyl]-1-methyl-piperidin-1-ium-1-yl]-2-phenyl-acetamide dibromide Formula: C30H44Br2N4O2 MolecularWeight: 652.50396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O2.2BrH/c1-33(27(29(31)35)25-9-5-3-6-10-25)19-15-23(16-20-33)13-14-24-17-21-34(2,22-18-24)28(30(32)36)26-11-7-4-8-12-26;;/h3-12,23-24,27-28H,13-22H2,1-2H3,(H2-2,31,32,35,36);2*1H