1-[(3-methylphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2S/c1-3-11-20(18,19)17-9-7-16(8-10-17)13-15-6-4-5-14(2)12-15/h4-6,12H,3,7-11,13H2,1-2H3/p+1