1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide

Systemtic Name: 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Openeye Name: 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide CAS Name: 1-[2-(2,4,6-trimethylphenoxy)ethyl]-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Traditional Name: 1-[2-(2,4,6-trimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC[NH+]2CCC(CC2)C(=S)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC[NH+]2CCC(CC2)C(=S)N)C

InChI

InChI=1S/C17H26N2OS/c1-12-10-13(2)16(14(3)11-12)20-9-8-19-6-4-15(5-7-19)17(18)21/h10-11,15H,4-9H2,1-3H3,(H2,18,21)/p+1