ethyl 4-methyl-4-(2-methylthiophen-3-yl)piperazin-4-ium-1-carboxylate bromide

Systemtic Name: ethyl 4-methyl-4-(2-methylthiophen-3-yl)piperazin-4-ium-1-carboxylate bromide Openeye Name: ethyl 4-methyl-4-(2-methyl-3-thienyl)piperazin-4-ium-1-carboxylate bromide CAS Name: 4-methyl-4-(2-methyl-3-thiophenyl)-1-piperazin-4-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-methyl-4-(2-methylthiophen-3-yl)piperazin-4-ium-1-carboxylate bromide Traditional Name: 4-methyl-4-(2-methyl-3-thienyl)piperazin-4-ium-1-carboxylic acid ethyl ester bromide Formula: C13H21BrN2O2S MolecularWeight: 349.28704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N2O2S.BrH/c1-4-17-13(16)14-6-8-15(3,9-7-14)12-5-10-18-11(12)2;/h5,10H,4,6-9H2,1-3H3;1H/q+1;/p-1