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

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium Formula: C16H25N3O2+2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-11(2)16-18-7-8-19(16)10-13(17)12-5-6-14(20-3)15(9-12)21-4/h5-9,11,13H,10,17H2,1-4H3/p+2/t13-/m1/s1