3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21N3O2S/c23-16-18-4-3-5-19(14-18)17-24-10-12-25(13-11-24)28(26,27)22-9-8-20-6-1-2-7-21(20)15-22/h1-9,14-15H,10-13,17H2/p+1