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

Systemtic Name: 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-esyl-4-(3-methylbenzyl)piperazin-4-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S/c1-3-19(17,18)16-9-7-15(8-10-16)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3/p+1