(3-azanyl-3-sulfanylidene-propyl)-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-amino-3-thioxo-propyl)-[2-(azepan-1-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-[2-(1-azepanyl)-2-oxoethyl]-methylammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-[2-(azepan-1-yl)-2-oxoethyl]-methylazanium Traditional Name: (3-amino-3-thioxo-propyl)-[2-(azepan-1-yl)-2-keto-ethyl]-methyl-ammonium Formula: C12H24N3OS+ MolecularWeight: 258.40346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=S)N)CC(=O)N1CCCCCC1

Isomeric SMILES

C[NH+](CCC(=S)N)CC(=O)N1CCCCCC1

InChI

InChI=1S/C12H23N3OS/c1-14(9-6-11(13)17)10-12(16)15-7-4-2-3-5-8-15/h2-10H2,1H3,(H2,13,17)/p+1