ethyl 4-methyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-methyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-methyl-4-(2-thienylmethyl)piperazin-4-ium-1-carboxylate chloride CAS Name: 4-methyl-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-methyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-methyl-4-(2-thenyl)piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CS2.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(C)CC2=CC=CS2.[Cl-]

InChI

InChI=1S/C13H21N2O2S.ClH/c1-3-17-13(16)14-6-8-15(2,9-7-14)11-12-5-4-10-18-12;/h4-5,10H,3,6-9,11H2,1-2H3;1H/q+1;/p-1