N-(2-phenylsulfanylphenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(2-phenylsulfanylphenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(2-phenylsulfanylphenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[2-(phenylthio)phenyl]-2-(4-propyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(2-phenylsulfanylphenyl)-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[2-(phenylthio)phenyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H29N3OS+2 MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-2-12-23-13-15-24(16-14-23)17-21(25)22-19-10-6-7-11-20(19)26-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,22,25)/p+2