N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-nitro-benzamide

Systemtic Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-nitro-benzamide Openeye Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-nitro-benzamide CAS Name: N-[1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolyl]-2-nitrobenzamide IUPAC Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-nitrobenzamide Traditional Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-nitro-benzamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1C[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1C[NH+]4CCCCC4

InChI

InChI=1S/C21H23N5O3/c1-24-19-10-9-15(22-21(27)16-7-3-4-8-18(16)26(28)29)13-17(19)23-20(24)14-25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,27)/p+1