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

Systemtic Name: ethyl (3S)-3-thiophen-2-ylpiperazin-4-ium-1-carboxylate Openeye Name: ethyl (3S)-3-(2-thienyl)piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-thiophen-2-yl-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-thiophen-2-ylpiperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(2-thienyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C11H17N2O2S+ MolecularWeight: 241.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2S/c1-2-15-11(14)13-6-5-12-9(8-13)10-4-3-7-16-10/h3-4,7,9,12H,2,5-6,8H2,1H3/p+1/t9-/m0/s1