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

Systemtic Name: 4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C17H17BrN3OS+ MolecularWeight: 391.30538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16BrN3OS/c18-16-6-5-15(23-16)12-20-7-9-21(10-8-20)17(22)14-3-1-13(11-19)2-4-14/h1-6H,7-10,12H2/p+1