2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C27H30N3OS+ MolecularWeight: 444.6116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS/c31-27(28-25-15-7-8-16-26(25)32-24-13-5-2-6-14-24)22-30-20-18-29(19-21-30)17-9-12-23-10-3-1-4-11-23/h1-16H,17-22H2,(H,28,31)/p+1/b12-9+