sodium 2-[4-(1H-imidazol-5-ylmethylamino)thiophen-3-yl]ethanoate

Systemtic Name: sodium 2-[4-(1H-imidazol-5-ylmethylamino)thiophen-3-yl]ethanoate Openeye Name: sodium 2-[4-(1H-imidazol-5-ylmethylamino)-3-thienyl]acetate CAS Name: sodium 2-[4-(1H-imidazol-5-ylmethylamino)-3-thiophenyl]acetate IUPAC Name: sodium 2-[4-(1H-imidazol-5-ylmethylamino)thiophen-3-yl]acetate Traditional Name: sodium 2-[4-(1H-imidazol-5-ylmethylamino)-3-thienyl]acetate Formula: C10H10N3NaO2S MolecularWeight: 259.26007

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CNC2=CSC=C2CC(=O)[O-].[Na+]

Isomeric SMILES

C1=C(NC=N1)CNC2=CSC=C2CC(=O)[O-].[Na+]

InChI

InChI=1S/C10H11N3O2S.Na/c14-10(15)1-7-4-16-5-9(7)12-3-8-2-11-6-13-8;/h2,4-6,12H,1,3H2,(H,11,13)(H,14,15);/q;+1/p-1