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

Systemtic Name: 4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c20-14-17-6-8-18(9-7-17)15-21-10-12-22(13-11-21)25(23,24)16-19-4-2-1-3-5-19/h1-9H,10-13,15-16H2/p+1