[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-(thian-4-yl)azanium

Systemtic Name: [(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-(thian-4-yl)azanium Openeye Name: [(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-(4-thianyl)ammonium IUPAC Name: [(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-(thian-4-yl)azanium Traditional Name: [(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C15H23ClNO2S+ MolecularWeight: 316.86662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH2+]C2CCSCC2)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@@H](C[NH2+]C2CCSCC2)O)Cl

InChI

InChI=1S/C15H22ClNO2S/c1-11-8-14(2-3-15(11)16)19-10-13(18)9-17-12-4-6-20-7-5-12/h2-3,8,12-13,17-18H,4-7,9-10H2,1H3/p+1/t13-/m1/s1