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

Systemtic Name: 3-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]propionitrile Formula: C18H21ClN3S+ MolecularWeight: 346.89744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3S/c19-17-5-2-1-4-16(17)18-7-6-15(23-18)14-22-12-10-21(11-13-22)9-3-8-20/h1-2,4-7H,3,9-14H2/p+1