1-butyl-1-[(2-nitrophenyl)methyl]benzimidazol-1-ium

Systemtic Name: 1-butyl-1-[(2-nitrophenyl)methyl]benzimidazol-1-ium Openeye Name: 1-butyl-1-[(2-nitrophenyl)methyl]benzimidazol-1-ium CAS Name: 1-butyl-1-[(2-nitrophenyl)methyl]benzimidazol-1-ium IUPAC Name: 1-butyl-1-[(2-nitrophenyl)methyl]benzimidazol-1-ium Traditional Name: 1-butyl-1-(2-nitrobenzyl)benzimidazol-1-ium Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC2=CC=CC=C21)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC[N+]1(C=NC2=CC=CC=C21)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N3O2/c1-2-3-12-21(14-19-16-9-5-7-11-18(16)21)13-15-8-4-6-10-17(15)20(22)23/h4-11,14H,2-3,12-13H2,1H3/q+1