1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC[NH+]2CCC(CC2)C(=S)N

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC[NH+]2CCC(CC2)C(=S)N

InChI

InChI=1S/C17H26N2OS/c1-13(2)15-5-3-4-6-16(15)20-12-11-19-9-7-14(8-10-19)17(18)21/h3-6,13-14H,7-12H2,1-2H3,(H2,18,21)/p+1