1-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-1,4-diazepan-4-ium CAS Name: 1-[(5-ethyl-2-thiophenyl)sulfonyl]-1,4-diazepan-4-ium IUPAC Name: 1-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-1,4-diazepan-4-ium Formula: C11H19N2O2S2+ MolecularWeight: 275.41076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H18N2O2S2/c1-2-10-4-5-11(16-10)17(14,15)13-8-3-6-12-7-9-13/h4-5,12H,2-3,6-9H2,1H3/p+1