2-nitro-6-[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]iminomethyl]phenolate

Systemtic Name: 2-nitro-6-[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]iminomethyl]phenolate Openeye Name: 2-nitro-6-[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]iminomethyl]phenolate CAS Name: 2-nitro-6-[[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]iminomethyl]phenolate IUPAC Name: 2-nitro-6-[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]iminomethyl]phenolate Traditional Name: 2-nitro-6-[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]iminomethyl]phenolate Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H23N5O3/c27-20-16(7-6-10-19(20)26(28)29)15-22-21-23-17-8-2-3-9-18(17)25(21)14-13-24-11-4-1-5-12-24/h2-3,6-10,15,27H,1,4-5,11-14H2