1-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)azepan-2-one

Systemtic Name: 1-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)azepan-2-one Openeye Name: 1-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)azepan-2-one CAS Name: 1-[(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)methyl]-2-azepanone IUPAC Name: 1-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)azepan-2-one Traditional Name: 1-[(2-imidazolin-1-ium-2-ylthio)methyl]azepan-2-one Formula: C10H18N3OS+ MolecularWeight: 228.33442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CSC2=[NH+]CCN2

Isomeric SMILES

C1CCC(=O)N(CC1)CSC2=[NH+]CCN2

InChI

InChI=1S/C10H17N3OS/c14-9-4-2-1-3-7-13(9)8-15-10-11-5-6-12-10/h1-8H2,(H,11,12)/p+1