4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 4-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 4-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]butyronitrile Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H21N3O2S/c19-9-3-4-10-20-11-13-21(14-12-20)24(22,23)18-8-7-16-5-1-2-6-17(16)15-18/h1-2,5-8,15H,3-4,10-14H2/p+1