2-(azepan-1-ium-1-yl)-N-[(Z)-(4-bromanylthiophen-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(4-bromanylthiophen-2-yl)methylideneamino]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(4-bromo-2-thienyl)methyleneamino]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(Z)-(4-bromo-2-thiophenyl)methylideneamino]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(Z)-(4-bromo-2-thienyl)methyleneamino]acetamide Formula: C13H19BrN3OS+ MolecularWeight: 345.27846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NN=CC2=CC(=CS2)Br

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N/N=C\C2=CC(=CS2)Br

InChI

InChI=1S/C13H18BrN3OS/c14-11-7-12(19-10-11)8-15-16-13(18)9-17-5-3-1-2-4-6-17/h7-8,10H,1-6,9H2,(H,16,18)/p+1/b15-8-