[(1S)-2-(benzimidazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium

Systemtic Name: [(1S)-2-(benzimidazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Openeye Name: [(1S)-2-(benzimidazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium CAS Name: [(1S)-2-(1-benzimidazolyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium IUPAC Name: [(1S)-2-(benzimidazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Traditional Name: [(1S)-2-(benzimidazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(CN3C=NC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)[C@@H](CN3C=NC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C17H17N3O2/c18-13(10-20-11-19-14-3-1-2-4-15(14)20)12-5-6-16-17(9-12)22-8-7-21-16/h1-6,9,11,13H,7-8,10,18H2/p+1/t13-/m1/s1