2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(5-bromanylthiophen-2-yl)ethanone

Systemtic Name: 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(5-bromanylthiophen-2-yl)ethanone Openeye Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-1-(5-bromo-2-thiophenyl)ethanone IUPAC Name: 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone Formula: C16H17BrN3OS+ MolecularWeight: 379.29468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H16BrN3OS/c1-2-9-19-11-5-3-4-6-12(11)20(16(19)18)10-13(21)14-7-8-15(17)22-14/h3-8,18H,2,9-10H2,1H3/p+1