1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide

Systemtic Name: 1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Openeye Name: 1-[2-(3-isopropylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide CAS Name: 1-[2-(3-propan-2-ylphenoxy)ethyl]-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-[2-(3-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-carbothioamide Traditional Name: 1-[2-(3-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=C1)OCC[NH+]2CCC(CC2)C(=S)N

Isomeric SMILES

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

InChI

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