4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CC[NH+](CC2)CCCC#N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CC[NH+](CC2)CCCC#N)C)C

InChI

InChI=1S/C19H29N3O2S/c1-14-15(2)17(4)19(18(5)16(14)3)25(23,24)22-12-10-21(11-13-22)9-7-6-8-20/h6-7,9-13H2,1-5H3/p+1