(2S)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3-ethoxyphenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2S)-2-m-phenetyl-2-piperazin-4-ium-1-yl-thioacetamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C(=S)N)N2CC[NH2+]CC2

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@@H](C(=S)N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3OS/c1-2-18-12-5-3-4-11(10-12)13(14(15)19)17-8-6-16-7-9-17/h3-5,10,13,16H,2,6-9H2,1H3,(H2,15,19)/p+1/t13-/m0/s1