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

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(5-bromanylthiophen-2-yl)ethanone Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(5-bromo-2-thiophenyl)ethanone IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone Formula: C17H19BrN3OS+ MolecularWeight: 393.32126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3OS/c1-2-3-10-20-12-6-4-5-7-13(12)21(17(20)19)11-14(22)15-8-9-16(18)23-15/h4-9,19H,2-3,10-11H2,1H3/p+1