3-[4-[5-(3-chlorophenyl)furan-2-yl]carbothioylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-(3-chlorophenyl)furan-2-yl]carbothioylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[5-(3-chlorophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[[5-(3-chlorophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[5-(3-chlorophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[5-(3-chlorophenyl)furan-2-carbothioyl]piperazin-1-ium-1-yl]propionitrile Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3OS/c19-15-4-1-3-14(13-15)16-5-6-17(23-16)18(24)22-11-9-21(10-12-22)8-2-7-20/h1,3-6,13H,2,8-12H2/p+1