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

Systemtic Name: 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Openeye Name: 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide CAS Name: 1-[2-(2,6-dimethylphenoxy)ethyl]-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Traditional Name: 1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2OS/c1-12-4-3-5-13(2)15(12)19-11-10-18-8-6-14(7-9-18)16(17)20/h3-5,14H,6-11H2,1-2H3,(H2,17,20)/p+1