[(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium

Systemtic Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium Openeye Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium CAS Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]ammonium IUPAC Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium Traditional Name: [(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium Formula: C15H21N3O2+2 MolecularWeight: 275.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC(C2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

CC(C)C1=[N+](C=CN1)C[C@@H](C2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C15H19N3O2/c1-10(2)15-17-5-6-18(15)8-12(16)11-3-4-13-14(7-11)20-9-19-13/h3-7,10,12H,8-9,16H2,1-2H3/p+2/t12-/m0/s1