[(1R)-2-isothiocyanato-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-isothiocyanato-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-isothiocyanato-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-isothiocyanato-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-isothiocyanato-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-isothiocyanato-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C12H17N2OS+ MolecularWeight: 237.34118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN=C=S)C1=CC(=CC=C1)OC

Isomeric SMILES

C[NH+](C)[C@@H](CN=C=S)C1=CC(=CC=C1)OC

InChI

InChI=1S/C12H16N2OS/c1-14(2)12(8-13-9-16)10-5-4-6-11(7-10)15-3/h4-7,12H,8H2,1-3H3/p+1/t12-/m0/s1