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

Systemtic Name: (3-azanyl-3-sulfanylidene-propyl)-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (3-amino-3-thioxo-propyl)-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-amino-3-sulfanylidenepropyl)-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (3-amino-3-sulfanylidenepropyl)-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: (3-amino-3-thioxo-propyl)-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C13H26N3OS+ MolecularWeight: 272.43004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3OS/c1-11(15(2)10-7-12(14)18)13(17)16-8-5-3-4-6-9-16/h11H,3-10H2,1-2H3,(H2,14,18)/p+1/t11-/m0/s1