ethyl 4-methyl-4-phenacyl-piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-methyl-4-phenacyl-piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-methyl-4-phenacyl-piperazin-4-ium-1-carboxylate bromide CAS Name: 4-methyl-4-phenacyl-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-methyl-4-phenacylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-methyl-4-phenacyl-piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C16H23BrN2O3 MolecularWeight: 371.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(C)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(C)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H23N2O3.BrH/c1-3-21-16(20)17-9-11-18(2,12-10-17)13-15(19)14-7-5-4-6-8-14;/h4-8H,3,9-13H2,1-2H3;1H/q+1;/p-1