5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexene-1-thiol

Systemtic Name: 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexene-1-thiol Openeye Name: 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexene-1-thiol CAS Name: 5,5-dimethyl-3-(1-piperidin-1-iumylidene)-1-cyclohexenethiol IUPAC Name: 5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexene-1-thiol Traditional Name: 5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexene-1-thiol Formula: C13H22NS+ MolecularWeight: 224.38548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)S)C

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)S)C

InChI

InChI=1S/C13H21NS/c1-13(2)9-11(8-12(15)10-13)14-6-4-3-5-7-14/h8H,3-7,9-10H2,1-2H3/p+1