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

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[2-(4-phenylthiazol-2-yl)ethyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[2-(4-phenyl-2-thiazolyl)ethyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[2-(4-phenylthiazol-2-yl)ethyl]ammonium Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CCC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CCC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c1-24-19-9-5-8-16-12-17(13-25-21(16)19)22-11-10-20-23-18(14-26-20)15-6-3-2-4-7-15/h2-9,14,17,22H,10-13H2,1H3/p+1/t17-/m0/s1