4-[[4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(5-bromo-2-thienyl)acryloyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C19H18BrN3OS/c20-18-7-5-17(25-18)6-8-19(24)23-11-9-22(10-12-23)14-16-3-1-15(13-21)2-4-16/h1-8H,9-12,14H2/p+1/b8-6+