N-[[2-(1,3-benzodioxol-5-ylsulfanyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine

Systemtic Name: N-[[2-(1,3-benzodioxol-5-ylsulfanyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine Openeye Name: N-[[2-(1,3-benzodioxol-5-ylsulfanyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine CAS Name: N-[[2-(1,3-benzodioxol-5-ylthio)phenyl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine IUPAC Name: N-[[2-(1,3-benzodioxol-5-ylsulfanyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine Traditional Name: [2-(1,3-benzodioxol-5-ylthio)benzyl]-(2-imidazolin-1-ium-2-yl)amine Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)NCC2=CC=CC=C2SC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+]=C(N1)NCC2=CC=CC=C2SC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O2S/c1-2-4-16(12(3-1)10-20-17-18-7-8-19-17)23-13-5-6-14-15(9-13)22-11-21-14/h1-6,9H,7-8,10-11H2,(H2,18,19,20)/p+1