4-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-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=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

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