1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)ethanone Formula: C12H19N2OS+ MolecularWeight: 239.35706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CC2=CC=CS2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CC2=CC=CS2

InChI

InChI=1S/C12H18N2OS/c1-13-5-3-6-14(8-7-13)12(15)10-11-4-2-9-16-11/h2,4,9H,3,5-8,10H2,1H3/p+1