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

Systemtic Name: 3-bromanyl-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[1-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1CC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br)N=C1CC[NH+]4CCOCC4

InChI

InChI=1S/C21H23BrN4O2/c1-25-19-6-5-17(23-21(27)15-3-2-4-16(22)13-15)14-18(19)24-20(25)7-8-26-9-11-28-12-10-26/h2-6,13-14H,7-12H2,1H3,(H,23,27)/p+1