[(1S,2S)-1-(3,4-diethoxyphenyl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(3,4-diethoxyphenyl)-2-ethyl-hexyl]ammonium Formula: C18H32NO2+ MolecularWeight: 294.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO2/c1-5-9-10-14(6-2)18(19)15-11-12-16(20-7-3)17(13-15)21-8-4/h11-14,18H,5-10,19H2,1-4H3/p+1/t14-,18-/m0/s1