N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-3-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/c1-24-19-9-8-16(22-21(27)15-6-5-7-17(12-15)26(28)29)13-18(19)23-20(24)14-25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,27)/p+1