N-(2-prop-2-enylsulfanylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H26N4OS+2 MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H24N4OS/c1-2-15-26-18-8-4-3-7-17(18)22-20(25)16-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h2-10H,1,11-16H2,(H,22,25)/p+2