(2-cyano-2-oxidanyl-cyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-oxidanyl-cyclohexyl)methyl-dimethyl-azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-azanium dibromide

Systemtic Name: (2-cyano-2-oxidanyl-cyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-oxidanyl-cyclohexyl)methyl-dimethyl-azaniumyl]ethanoyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-azanium dibromide Openeye Name: (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium dibromide CAS Name: (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylammonio]-1-oxoethyl]phenyl]-2-oxoethyl]-dimethylammonium dibromide IUPAC Name: (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide Traditional Name: (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium dibromide Formula: C30H44Br2N4O4 MolecularWeight: 684.50276

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1CCCCC1(C#N)O)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)O.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC1CCCCC1(C#N)O)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)O.[Br-].[Br-]

InChI

InChI=1S/C30H44N4O4.2BrH/c1-33(2,17-25-9-5-7-15-29(25,37)21-31)19-27(35)23-11-13-24(14-12-23)28(36)20-34(3,4)18-26-10-6-8-16-30(26,38)22-32;;/h11-14,25-26,37-38H,5-10,15-20H2,1-4H3;2*1H/q+2;;/p-2