(2S)-2-piperazin-4-ium-1-yl-2-(4-propoxyphenyl)ethanethioamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-2-(4-propoxyphenyl)ethanethioamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-2-(4-propoxyphenyl)thioacetamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-2-(4-propoxyphenyl)ethanethioamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-2-(4-propoxyphenyl)ethanethioamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-2-(4-propoxyphenyl)thioacetamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C(=S)N)N2CC[NH2+]CC2

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](C(=S)N)N2CC[NH2+]CC2

InChI

InChI=1S/C15H23N3OS/c1-2-11-19-13-5-3-12(4-6-13)14(15(16)20)18-9-7-17-8-10-18/h3-6,14,17H,2,7-11H2,1H3,(H2,16,20)/p+1/t14-/m0/s1