2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-2-15-29-20-6-4-3-5-19(20)22-21(26)16-23-11-13-24(14-12-23)17-7-9-18(10-8-17)25(27)28/h2-10H,1,11-16H2,(H,22,26)/p+1