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

Systemtic Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]azanium Openeye Name: [(1S,2S)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-1-(4-methoxyphenyl)propyl]ammonium CAS Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]ammonium IUPAC Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propyl]azanium Traditional Name: [(1S,2S)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-1-(4-methoxyphenyl)propyl]ammonium Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@H](C1=CC=C(C=C1)OC)[NH3+])[N+]2=C(NC=C2)C(C)C

InChI

InChI=1S/C16H23N3O/c1-11(2)16-18-9-10-19(16)12(3)15(17)13-5-7-14(20-4)8-6-13/h5-12,15H,17H2,1-4H3/p+2/t12-,15+/m0/s1