1-[(5-nitrothiophen-2-yl)methylidene]-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one

Systemtic Name: 1-[(5-nitrothiophen-2-yl)methylidene]-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one Openeye Name: 1-[(5-nitro-2-thienyl)methylene]-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one CAS Name: 1-[(5-nitro-2-thiophenyl)methylidene]-4-[2-(1-piperidin-1-iumyl)ethyl]-2-imidazo[1,2-a]benzimidazolone IUPAC Name: 1-[(5-nitrothiophen-2-yl)methylidene]-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one Traditional Name: 1-[(5-nitro-2-thienyl)methylene]-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazol-2-one Formula: C21H22N5O3S+ MolecularWeight: 424.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N4C2=NC(=O)C4=CC5=CC=C(S5)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N4C2=NC(=O)C4=CC5=CC=C(S5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c27-20-18(14-15-8-9-19(30-15)26(28)29)25-17-7-3-2-6-16(17)24(21(25)22-20)13-12-23-10-4-1-5-11-23/h2-3,6-9,14H,1,4-5,10-13H2/p+1