6-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C21H20ClN4S+ MolecularWeight: 395.9283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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