2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(5-nitrofuran-2-yl)ethanone

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(5-nitrofuran-2-yl)ethanone Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(5-nitro-2-furyl)ethanone CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(5-nitro-2-furanyl)ethanone IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(5-nitrofuran-2-yl)ethanone Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(5-nitro-2-furyl)ethanone Formula: C20H17N4O4+ MolecularWeight: 377.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(O4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(O4)[N+](=O)[O-])N

InChI

InChI=1S/C20H16N4O4/c21-20-22(12-14-6-2-1-3-7-14)15-8-4-5-9-16(15)23(20)13-17(25)18-10-11-19(28-18)24(26)27/h1-11,21H,12-13H2/p+1