(5-bromanylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-bromo-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-bromo-2-thiophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-bromothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-bromo-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C11H16BrN2OS+ MolecularWeight: 304.22654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(S2)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C11H15BrN2OS/c1-13-5-2-6-14(8-7-13)11(15)9-3-4-10(12)16-9/h3-4H,2,5-8H2,1H3/p+1