(2S)-3-(2-ethylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate

Systemtic Name: (2S)-3-(2-ethylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate Openeye Name: (2S)-3-(2-ethylsulfanyl-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate CAS Name: (2S)-3-[2-(ethylthio)-1H-imidazol-5-yl]-2-(trimethylammonio)propanoate IUPAC Name: (2S)-3-(2-ethylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: (2S)-3-[2-(ethylthio)-1H-imidazol-5-yl]-2-(trimethylammonio)propionate Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1)CC(C(=O)[O-])[N+](C)(C)C

Isomeric SMILES

CCSC1=NC=C(N1)C[C@@H](C(=O)[O-])[N+](C)(C)C

InChI

InChI=1S/C11H19N3O2S/c1-5-17-11-12-7-8(13-11)6-9(10(15)16)14(2,3)4/h7,9H,5-6H2,1-4H3,(H-,12,13,15,16)/t9-/m0/s1