tert-butyl (3S)-3-thiophen-2-ylpiperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-thiophen-2-ylpiperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-(2-thienyl)piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-thiophen-2-yl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-thiophen-2-ylpiperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(2-thienyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@@H](C1)C2=CC=CS2

InChI

InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-7-6-14-10(9-15)11-5-4-8-18-11/h4-5,8,10,14H,6-7,9H2,1-3H3/p+1/t10-/m0/s1