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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C[N+]2=C(NC=C2)C(C)C)[NH3+]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](C[N+]2=C(NC=C2)C(C)C)[NH3+]

InChI

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