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

Systemtic Name: ethyl 4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(2-thienylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-thenyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C12H18N2O2S/c1-2-16-12(15)14-7-5-13(6-8-14)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3/p+1