2-(3H-benzimidazol-1-ium-1-yl)ethyl-pentyl-azanium; ethanedioate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-pentyl-azanium; ethanedioate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-pentyl-ammonium; oxalate CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-pentylammonium; oxalate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-pentylazanium; oxalate Traditional Name: amyl-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]ammonium; oxalate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCC[NH2+]CC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H21N3.C2H2O4/c1-2-3-6-9-15-10-11-17-12-16-13-7-4-5-8-14(13)17;3-1(4)2(5)6/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3;(H,3,4)(H,5,6)