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

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[3-(methylthio)benzyl]ammonium Formula: C18H22NO2S+ MolecularWeight: 316.43778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H21NO2S/c1-20-17-8-4-6-14-10-15(12-21-18(14)17)19-11-13-5-3-7-16(9-13)22-2/h3-9,15,19H,10-12H2,1-2H3/p+1/t15-/m0/s1