4-ethyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-ethyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-ethyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-[3-(methylthio)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-[3-(methylthio)phenyl]piperazin-4-ium-1-carboxamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C14H21N3OS/c1-3-16-7-9-17(10-8-16)14(18)15-12-5-4-6-13(11-12)19-2/h4-6,11H,3,7-10H2,1-2H3,(H,15,18)/p+1