sodium 2-[[4-(3H-benzimidazol-5-yl)phenyl]-methyl-amino]ethanoate

Systemtic Name: sodium 2-[[4-(3H-benzimidazol-5-yl)phenyl]-methyl-amino]ethanoate Openeye Name: sodium 2-[4-(3H-benzimidazol-5-yl)-N-methyl-anilino]acetate CAS Name: sodium 2-[4-(3H-benzimidazol-5-yl)-N-methylanilino]acetate IUPAC Name: sodium 2-[4-(3H-benzimidazol-5-yl)-N-methylanilino]acetate Traditional Name: sodium 2-[4-(3H-benzimidazol-5-yl)-N-methyl-anilino]acetate Formula: C16H14N3NaO2 MolecularWeight: 303.29103

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN3.[Na+]

Isomeric SMILES

CN(CC(=O)[O-])C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN3.[Na+]

InChI

InChI=1S/C16H15N3O2.Na/c1-19(9-16(20)21)13-5-2-11(3-6-13)12-4-7-14-15(8-12)18-10-17-14;/h2-8,10H,9H2,1H3,(H,17,18)(H,20,21);/q;+1/p-1