[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(4-methoxy-3-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(4-methoxy-3-oxidanyl-phenyl)methyl]azanium Openeye Name: (3-hydroxy-4-methoxy-phenyl)methyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(3-hydroxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3-hydroxy-4-methoxyphenyl)methyl]azanium Traditional Name: (3-hydroxy-4-methoxy-benzyl)-[(4S)-thiochroman-4-yl]ammonium Formula: C17H20NO2S+ MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCSC3=CC=CC=C23)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCSC3=CC=CC=C23)O

InChI

InChI=1S/C17H19NO2S/c1-20-16-7-6-12(10-15(16)19)11-18-14-8-9-21-17-5-3-2-4-13(14)17/h2-7,10,14,18-19H,8-9,11H2,1H3/p+1/t14-/m0/s1