2-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone Openeye Name: 2-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone CAS Name: 2-[2-amino-3-[2-(4-morpholinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3-bromophenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone Traditional Name: 2-[2-amino-3-(2-morpholinoethyl)benzimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrN4O2/c22-17-5-3-4-16(14-17)20(27)15-26-19-7-2-1-6-18(19)25(21(26)23)9-8-24-10-12-28-13-11-24/h1-7,14,23H,8-13,15H2/p+1