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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(5-bromanylthiophen-2-yl)ethanone Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(5-bromo-2-thiophenyl)ethanone IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(5-bromo-2-thienyl)ethanone Formula: C16H15BrN3OS+ MolecularWeight: 377.2788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H14BrN3OS/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/h2-8,18H,1,9-10H2/p+1