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

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium; ethanedioate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-isopentyl-ammonium; oxalate CAS Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)ammonium; oxalate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium; oxalate Traditional Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-isoamyl-ammonium; oxalate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3.C2H2O4/c1-12(2)7-8-15-9-10-17-11-16-13-5-3-4-6-14(13)17;3-1(4)2(5)6/h3-6,11-12,15H,7-10H2,1-2H3;(H,3,4)(H,5,6)