(2S)-2-phenyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2S)-2-phenyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2S)-2-phenyl-2-[4-[(E)-3-(3-thienyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetonitrile CAS Name: (2S)-2-[4-[(E)-1-oxo-3-(3-thiophenyl)prop-2-enyl]-1-piperazin-1-iumyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-phenyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: (2S)-2-phenyl-2-[4-[(E)-3-(3-thienyl)acryloyl]piperazin-1-ium-1-yl]acetonitrile Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=CC=C2)C(=O)C=CC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C#N)C2=CC=CC=C2)C(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C19H19N3OS/c20-14-18(17-4-2-1-3-5-17)21-9-11-22(12-10-21)19(23)7-6-16-8-13-24-15-16/h1-8,13,15,18H,9-12H2/p+1/b7-6+/t18-/m1/s1