2-[(2-bromanyl-12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-yl)sulfanyl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[(2-bromanyl-12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-yl)sulfanyl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[(2-bromo-12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-yl)sulfanyl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[(2-bromo-12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-yl)thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[(2-bromo-12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-yl)sulfanyl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(2-bromo-12H-benzimidazolo[1,2-c]quinazolin-7-ium-6-yl)thio]-N-(3-methoxypropyl)acetamide Formula: C20H20BrN4O2S+ MolecularWeight: 460.3674

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NC2=C(C=C(C=C2)Br)C3=[N+]1C4=CC=CC=C4N3

Isomeric SMILES

COCCCNC(=O)CSC1=NC2=C(C=C(C=C2)Br)C3=[N+]1C4=CC=CC=C4N3

InChI

InChI=1S/C20H19BrN4O2S/c1-27-10-4-9-22-18(26)12-28-20-24-15-8-7-13(21)11-14(15)19-23-16-5-2-3-6-17(16)25(19)20/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,26)/p+1