3-isothiocyanatopropyl-methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: 3-isothiocyanatopropyl-methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-(3-isothiocyanatopropyl)-methyl-ammonium CAS Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-(3-isothiocyanatopropyl)-methylammonium IUPAC Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-(3-isothiocyanatopropyl)-methylazanium Traditional Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-(3-isothiocyanatopropyl)-methyl-ammonium Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH+](C)CCCN=C=S

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH+](C)CCCN=C=S

InChI

InChI=1S/C14H20N2OS/c1-12(16(2)10-6-9-15-11-18)14(17)13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-10H2,1-2H3/p+1/t12-,14-/m1/s1