(2S)-2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: (2S)-2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: (2S)-2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-(phenylthio)ethanone IUPAC Name: (2S)-2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-phenylsulfanylethanone Traditional Name: (2S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C27H29N2OS+ MolecularWeight: 429.59696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H28N2OS/c30-27(26(24-14-6-2-7-15-24)31-25-16-8-3-9-17-25)29-21-19-28(20-22-29)18-10-13-23-11-4-1-5-12-23/h1-17,26H,18-22H2/p+1/b13-10+/t26-/m0/s1