2-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: 2-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 2-[(3-nitro-4-propoxyphenyl)methylthio]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-[(3-nitro-4-propoxyphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-[(3-nitro-4-propoxy-benzyl)thio]-2-imidazolin-1-ium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC2=[NH+]CCN2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC2=[NH+]CCN2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c1-2-7-19-12-4-3-10(8-11(12)16(17)18)9-20-13-14-5-6-15-13/h3-4,8H,2,5-7,9H2,1H3,(H,14,15)/p+1