4-(2-cyclohexylethyl)-1,1-dimethyl-4-phenyl-piperidin-1-ium-3-one bromide

Systemtic Name: 4-(2-cyclohexylethyl)-1,1-dimethyl-4-phenyl-piperidin-1-ium-3-one bromide Openeye Name: 4-(2-cyclohexylethyl)-1,1-dimethyl-4-phenyl-piperidin-1-ium-3-one bromide CAS Name: 4-(2-cyclohexylethyl)-1,1-dimethyl-4-phenyl-3-piperidin-1-iumone bromide IUPAC Name: 4-(2-cyclohexylethyl)-1,1-dimethyl-4-phenylpiperidin-1-ium-3-one bromide Traditional Name: 4-(2-cyclohexylethyl)-1,1-dimethyl-4-phenyl-piperidin-1-ium-3-one bromide Formula: C21H32BrNO MolecularWeight: 394.38888

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C(=O)C1)(CCC2CCCCC2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C(=O)C1)(CCC2CCCCC2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C21H32NO.BrH/c1-22(2)16-15-21(20(23)17-22,19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18;/h4,7-8,11-12,18H,3,5-6,9-10,13-17H2,1-2H3;1H/q+1;/p-1