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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1COC2=CC=CC=C2C1[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)O[C@H]1COC2=CC=CC=C2[C@@H]1[NH3+]

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-9-13(2)20-16-12-19-15-11-8-7-10-14(15)17(16)18/h7-8,10-11,13,16-17H,3-6,9,12,18H2,1-2H3/p+1/t13-,16-,17-/m0/s1