(2S)-1-(2-isothiocyanatoethyl)-2-methyl-piperidin-1-ium

Systemtic Name: (2S)-1-(2-isothiocyanatoethyl)-2-methyl-piperidin-1-ium Openeye Name: (2S)-1-(2-isothiocyanatoethyl)-2-methyl-piperidin-1-ium CAS Name: (2S)-1-(2-isothiocyanatoethyl)-2-methylpiperidin-1-ium IUPAC Name: (2S)-1-(2-isothiocyanatoethyl)-2-methylpiperidin-1-ium Traditional Name: (2S)-1-(2-isothiocyanatoethyl)-2-methyl-piperidin-1-ium Formula: C9H17N2S+ MolecularWeight: 185.30968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCN=C=S

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCN=C=S

InChI

InChI=1S/C9H16N2S/c1-9-4-2-3-6-11(9)7-5-10-8-12/h9H,2-7H2,1H3/p+1/t9-/m0/s1