cyclohexylmethyl 1-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]-1-methyl-piperidin-1-ium-4-carboxylate bromide

Systemtic Name: cyclohexylmethyl 1-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]-1-methyl-piperidin-1-ium-4-carboxylate bromide Openeye Name: cyclohexylmethyl 1-[2-(4-azidophenyl)-2-oxo-ethyl]-1-methyl-piperidin-1-ium-4-carboxylate bromide CAS Name: 1-[2-(4-azidophenyl)-2-oxoethyl]-1-methyl-4-piperidin-1-iumcarboxylic acid cyclohexylmethyl ester bromide IUPAC Name: cyclohexylmethyl 1-[2-(4-azidophenyl)-2-oxoethyl]-1-methylpiperidin-1-ium-4-carboxylate bromide Traditional Name: 1-[2-(4-azidophenyl)-2-keto-ethyl]-1-methyl-piperidin-1-ium-4-carboxylic acid cyclohexylmethyl ester bromide Formula: C22H31BrN4O3 MolecularWeight: 479.41054

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C(=O)OCC2CCCCC2)CC(=O)C3=CC=C(C=C3)N=[N+]=[N-].[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)C(=O)OCC2CCCCC2)CC(=O)C3=CC=C(C=C3)N=[N+]=[N-].[Br-]

InChI

InChI=1S/C22H31N4O3.BrH/c1-26(15-21(27)18-7-9-20(10-8-18)24-25-23)13-11-19(12-14-26)22(28)29-16-17-5-3-2-4-6-17;/h7-10,17,19H,2-6,11-16H2,1H3;1H/q+1;/p-1