(1-ethyl-1-methyl-piperidin-1-ium-4-yl) 3-methyl-2-phenyl-pentanoate bromide

Systemtic Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) 3-methyl-2-phenyl-pentanoate bromide Openeye Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) 3-methyl-2-phenyl-pentanoate bromide CAS Name: 3-methyl-2-phenylpentanoic acid (1-ethyl-1-methyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1-ethyl-1-methylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide Traditional Name: 3-methyl-2-phenyl-valeric acid (1-ethyl-1-methyl-piperidin-1-ium-4-yl) ester bromide Formula: C20H32BrNO2 MolecularWeight: 398.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)CC.[Br-]

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)CC.[Br-]

InChI

InChI=1S/C20H32NO2.BrH/c1-5-16(3)19(17-10-8-7-9-11-17)20(22)23-18-12-14-21(4,6-2)15-13-18;/h7-11,16,18-19H,5-6,12-15H2,1-4H3;1H/q+1;/p-1