1-(4-bromophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-(4-bromophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Openeye Name: 1-(4-bromophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide CAS Name: 1-(4-bromophenyl)-2-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Traditional Name: 1-(4-bromophenyl)-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C=C3)Br)C=CC(=C2)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C=C3)Br)C=CC(=C2)C(=O)NCC[NH+]4CCOCC4

InChI

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