2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-(phenylmethyl)azanium; ethanedioate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-(phenylmethyl)azanium; ethanedioate Openeye Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-benzyl-ammonium; oxalate CAS Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-(phenylmethyl)ammonium; oxalate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-benzylazanium; oxalate Traditional Name: 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-benzyl-ammonium; oxalate Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCOC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCOC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C17H19N3O.C2H2O4/c1-2-6-15(7-3-1)12-18-10-11-21-14-20-13-19-16-8-4-5-9-17(16)20;3-1(4)2(5)6/h1-9,13,18H,10-12,14H2;(H,3,4)(H,5,6)