2-(4-phenylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[3-(phenylthio)propyl]acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c25-21(22-12-7-17-26-20-10-5-2-6-11-20)18-23-13-15-24(16-14-23)19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,22,25)/p+1