[(3R,4S)-3-[(2S)-2-ethylhexoxy]-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3R,4S)-3-[(2S)-2-ethylhexoxy]-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3R,4S)-3-[(2S)-2-ethylhexoxy]chroman-4-yl]ammonium CAS Name: [(3R,4S)-3-[(2S)-2-ethylhexoxy]-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3R,4S)-3-[(2S)-2-ethylhexoxy]-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3R,4S)-3-[(2S)-2-ethylhexoxy]chroman-4-yl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1COC2=CC=CC=C2C1[NH3+]

Isomeric SMILES

CCCC[C@H](CC)CO[C@H]1COC2=CC=CC=C2[C@@H]1[NH3+]

InChI

InChI=1S/C17H27NO2/c1-3-5-8-13(4-2)11-19-16-12-20-15-10-7-6-9-14(15)17(16)18/h6-7,9-10,13,16-17H,3-5,8,11-12,18H2,1-2H3/p+1/t13-,16-,17-/m0/s1