4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

InChI

InChI=1S/C18H27N3O2S/c1-18(2,3)16-6-8-17(9-7-16)24(22,23)21-14-12-20(13-15-21)11-5-4-10-19/h6-9H,4-5,11-15H2,1-3H3/p+1