(2S)-2-piperazin-4-ium-1-yl-2-thiophen-2-yl-ethanenitrile

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-2-thiophen-2-yl-ethanenitrile Openeye Name: (2S)-2-piperazin-4-ium-1-yl-2-(2-thienyl)acetonitrile CAS Name: (2S)-2-(1-piperazin-4-iumyl)-2-thiophen-2-ylacetonitrile IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-2-thiophen-2-ylacetonitrile Traditional Name: (2S)-2-piperazin-4-ium-1-yl-2-(2-thienyl)acetonitrile Formula: C10H14N3S+ MolecularWeight: 208.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC=CS2

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC=CS2

InChI

InChI=1S/C10H13N3S/c11-8-9(10-2-1-7-14-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6H2/p+1/t9-/m0/s1