[(1S,2S)-2-ethyl-1-(4-propan-2-yloxyphenyl)hexyl]azanium

Systemtic Name: [(1S,2S)-2-ethyl-1-(4-propan-2-yloxyphenyl)hexyl]azanium Openeye Name: [(1S,2S)-2-ethyl-1-(4-isopropoxyphenyl)hexyl]ammonium CAS Name: [(1S,2S)-2-ethyl-1-(4-propan-2-yloxyphenyl)hexyl]ammonium IUPAC Name: [(1S,2S)-2-ethyl-1-(4-propan-2-yloxyphenyl)hexyl]azanium Traditional Name: [(1S,2S)-2-ethyl-1-(4-isopropoxyphenyl)hexyl]ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC=C(C=C1)OC(C)C)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC=C(C=C1)OC(C)C)[NH3+]

InChI

InChI=1S/C17H29NO/c1-5-7-8-14(6-2)17(18)15-9-11-16(12-10-15)19-13(3)4/h9-14,17H,5-8,18H2,1-4H3/p+1/t14-,17-/m0/s1