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

Systemtic Name: 4-chloranyl-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Openeye Name: 4-chloro-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide CAS Name: 4-chloro-N-[1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolyl]benzamide IUPAC Name: 4-chloro-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Traditional Name: 4-chloro-N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O/c1-25-19-10-9-17(23-21(27)15-5-7-16(22)8-6-15)13-18(19)24-20(25)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27)/p+1