4-dodecylsulfonyl-1-methyl-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 4-dodecylsulfonyl-1-methyl-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-dodecylsulfonyl-1-methyl-piperazin-1-ium CAS Name: 4-dodecylsulfonyl-1-methyl-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-dodecylsulfonyl-1-methylpiperazin-1-ium Traditional Name: 1-benzyl-4-laurylsulfonyl-1-methyl-piperazin-1-ium Formula: C24H43N2O2S+ MolecularWeight: 423.67542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2

InChI

InChI=1S/C24H43N2O2S/c1-3-4-5-6-7-8-9-10-11-15-22-29(27,28)25-18-20-26(2,21-19-25)23-24-16-13-12-14-17-24/h12-14,16-17H,3-11,15,18-23H2,1-2H3/q+1