2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N3O3/c1-3-18-19(2)15-6-4-5-7-16(15)20(18)12-17(22)13-8-10-14(11-9-13)21(23)24/h4-11H,3,12H2,1-2H3/q+1