1-butylsulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-butylsulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-butylsulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-butylsulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-butylsulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-butylsulfonyl-4-phenethyl-piperazin-4-ium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)(=O)N1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C16H26N2O2S/c1-2-3-15-21(19,20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3/p+1