1-butylsulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-butylsulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-butylsulfonyl-4-(p-tolylmethyl)piperazin-4-ium CAS Name: 1-butylsulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-butylsulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-butylsulfonyl-4-(4-methylbenzyl)piperazin-4-ium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C16H26N2O2S/c1-3-4-13-21(19,20)18-11-9-17(10-12-18)14-16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3/p+1