2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(5-bromanylthiophen-2-yl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(5-bromanylthiophen-2-yl)ethanone Openeye Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(5-bromo-2-thienyl)ethanone CAS Name: 2-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(5-bromo-2-thiophenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(5-bromo-2-thienyl)ethanone Formula: C19H23BrN4O2S+2 MolecularWeight: 451.38052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H21BrN4O2S/c20-18-6-5-17(27-18)16(25)13-24-15-4-2-1-3-14(15)23(19(24)21)8-7-22-9-11-26-12-10-22/h1-6,21H,7-13H2/p+2