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

Systemtic Name: 3-[4-(5-phenylfuran-2-yl)carbothioylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(5-phenylfuran-2-carbothioyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5-phenyl-2-furanyl)-sulfanylidenemethyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(5-phenylfuran-2-carbothioyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(5-phenylfuran-2-carbothioyl)piperazin-1-ium-1-yl]propionitrile Formula: C18H20N3OS+ MolecularWeight: 326.4359

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c19-9-4-10-20-11-13-21(14-12-20)18(23)17-8-7-16(22-17)15-5-2-1-3-6-15/h1-3,5-8H,4,10-14H2/p+1