2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanone Openeye Name: 1-(4-allylpiperazin-4-ium-1-yl)-2-phenylsulfanyl-ethanone CAS Name: 2-(phenylthio)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanone Traditional Name: 1-(4-allylpiperazin-4-ium-1-yl)-2-(phenylthio)ethanone Formula: C15H21N2OS+ MolecularWeight: 277.40504

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C15H20N2OS/c1-2-8-16-9-11-17(12-10-16)15(18)13-19-14-6-4-3-5-7-14/h2-7H,1,8-13H2/p+1