cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide

Systemtic Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide Openeye Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumcarboxylic acid cyclohexyl ester dibromide IUPAC Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylic acid cyclohexyl ester dibromide Formula: C21H27Br2N3O3 MolecularWeight: 529.26538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=C[N+](=CC=C2)CCC[N+]3=CC=CC(=C3)C=NO.[Br-].[Br-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=C[N+](=CC=C2)CCC[N+]3=CC=CC(=C3)/C=N/O.[Br-].[Br-]

InChI

InChI=1S/C21H26N3O3.2BrH/c25-21(27-20-9-2-1-3-10-20)19-8-5-12-24(17-19)14-6-13-23-11-4-7-18(16-23)15-22-26;;/h4-5,7-8,11-12,15-17,20H,1-3,6,9-10,13-14H2;2*1H/q+1;;/p-1/b22-15+;;