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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-4-ium Formula: C10H16BrN2S+ MolecularWeight: 276.21644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC2=CC=C(S2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)CC2=CC=C(S2)Br

InChI

InChI=1S/C10H15BrN2S/c11-10-3-2-9(14-10)8-13-6-1-4-12-5-7-13/h2-3,12H,1,4-8H2/p+1