4-ethyl-1-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(5-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(5-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[(5-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium-5-one Formula: C13H21N2OS+ MolecularWeight: 253.38364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(S2)C

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(S2)C

InChI

InChI=1S/C13H20N2OS/c1-3-15-9-8-14(7-6-13(15)16)10-12-5-4-11(2)17-12/h4-5H,3,6-10H2,1-2H3/p+1