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

Systemtic Name: 2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C21H20ClN4S+ MolecularWeight: 395.9283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3Cl)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3Cl)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H19ClN4S/c22-19-6-2-1-5-18(19)20-8-7-17(27-20)15-25-10-12-26(13-11-25)21-16(14-23)4-3-9-24-21/h1-9H,10-13,15H2/p+1