[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C21H26NO3S+ MolecularWeight: 372.50104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-2-20(24)15-7-9-17(10-8-15)25-14-16(23)13-22-19-11-12-26-21-6-4-3-5-18(19)21/h3-10,16,19,22-23H,2,11-14H2,1H3/p+1/t16-,19+/m1/s1