3-bromanyl-N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]benzamide

Systemtic Name: 3-bromanyl-N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[1-methyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]benzamide Formula: C20H22BrN4O2+ MolecularWeight: 430.31828

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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+]4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1C[NH+]4CCOCC4

InChI

InChI=1S/C20H21BrN4O2/c1-24-18-6-5-16(22-20(26)14-3-2-4-15(21)11-14)12-17(18)23-19(24)13-25-7-9-27-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)/p+1