2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c19-17-5-7-18(8-6-17)25(23,24)22-11-9-21(10-12-22)14-16-4-2-1-3-15(16)13-20/h1-8H,9-12,14H2/p+1