4-[[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(5-bromanylthiophen-2-yl)butanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(5-bromo-2-thienyl)butanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(5-bromo-2-thiophenyl)-1-oxobutyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(5-bromothiophen-2-yl)butanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(5-bromo-2-thienyl)butanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H23BrN3OS+ MolecularWeight: 433.38512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C20H22BrN3OS/c21-19-9-8-18(26-19)2-1-3-20(25)24-12-10-23(11-13-24)15-17-6-4-16(14-22)5-7-17/h4-9H,1-3,10-13,15H2/p+1