[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-(3-methylsulfanylpropyl)azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-(3-methylsulfanylpropyl)azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-(3-methylsulfanylpropyl)ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[3-(methylthio)propyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-(3-methylsulfanylpropyl)azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[3-(methylthio)propyl]ammonium Formula: C14H22NO2S+ MolecularWeight: 268.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CCCSC

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CCCSC

InChI

InChI=1S/C14H21NO2S/c1-16-13-6-3-5-11-9-12(10-17-14(11)13)15-7-4-8-18-2/h3,5-6,12,15H,4,7-10H2,1-2H3/p+1/t12-/m0/s1