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

Systemtic Name: [(1S)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropoxyphenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium CAS Name: [(1S)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)-1-(4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(4-isopropoxyphenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]ammonium Formula: C17H27N3O+2 MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O/c1-12(2)17-19-9-10-20(17)11-16(18)14-5-7-15(8-6-14)21-13(3)4/h5-10,12-13,16H,11,18H2,1-4H3/p+2/t16-/m1/s1