2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C15H16ClN4S+ MolecularWeight: 319.83234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C15H15ClN4S/c16-14-4-3-13(21-14)11-19-6-8-20(9-7-19)15-12(10-17)2-1-5-18-15/h1-5H,6-9,11H2/p+1