[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium Openeye Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium Traditional Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium Formula: C16H23N3O2+2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC(C2=CC3=C(C=C2)OCCO3)[NH3+]

Isomeric SMILES

CC(C)C1=[N+](C=CN1)C[C@H](C2=CC3=C(C=C2)OCCO3)[NH3+]

InChI

InChI=1S/C16H21N3O2/c1-11(2)16-18-5-6-19(16)10-13(17)12-3-4-14-15(9-12)21-8-7-20-14/h3-6,9,11,13H,7-8,10,17H2,1-2H3/p+2/t13-/m1/s1