[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-phenyl-1,3-thiazol-5-yl)methyl]azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-phenyl-1,3-thiazol-5-yl)methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[(4-phenylthiazol-5-yl)methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[(4-phenyl-5-thiazolyl)methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-phenyl-1,3-thiazol-5-yl)methyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[(4-phenylthiazol-5-yl)methyl]ammonium Formula: C20H21N2O2S+ MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=C(N=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=C(N=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O2S/c1-23-17-9-5-8-15-10-16(12-24-20(15)17)21-11-18-19(22-13-25-18)14-6-3-2-4-7-14/h2-9,13,16,21H,10-12H2,1H3/p+1/t16-/m0/s1