1-[5,5-dimethyl-3-(phenylmethylsulfanyl)cyclohex-2-en-1-ylidene]piperidin-1-ium

Systemtic Name: 1-[5,5-dimethyl-3-(phenylmethylsulfanyl)cyclohex-2-en-1-ylidene]piperidin-1-ium Openeye Name: 1-(3-benzylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-ylidene)piperidin-1-ium CAS Name: 1-[5,5-dimethyl-3-(phenylmethylthio)-1-cyclohex-2-enylidene]piperidin-1-ium IUPAC Name: 1-(3-benzylsulfanyl-5,5-dimethylcyclohex-2-en-1-ylidene)piperidin-1-ium Traditional Name: 1-[3-(benzylthio)-5,5-dimethyl-cyclohex-2-en-1-ylidene]piperidin-1-ium Formula: C20H28NS+ MolecularWeight: 314.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H28NS/c1-20(2)14-18(21-11-7-4-8-12-21)13-19(15-20)22-16-17-9-5-3-6-10-17/h3,5-6,9-10,13H,4,7-8,11-12,14-16H2,1-2H3/q+1