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

Systemtic Name: 3-bromanyl-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[1-methyl-2-(1-pyrrolidin-1-iumylmethyl)-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]benzamide Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1C[NH+]4CCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1C[NH+]4CCCC4

InChI

InChI=1S/C20H21BrN4O/c1-24-18-8-7-16(22-20(26)14-5-4-6-15(21)11-14)12-17(18)23-19(24)13-25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,26)/p+1