1-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(m-tolylmethylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(3-methylphenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(3-methylbenzyl)sulfonyl-piperazin-1-ium Formula: C19H25N2O2S+ MolecularWeight: 345.479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O2S/c1-17-6-5-9-19(14-17)16-24(22,23)21-12-10-20(11-13-21)15-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+1