1-[(3,5-dimethylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(3,5-dimethylbenzyl)piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N2O2S/c1-17-12-18(2)14-20(13-17)15-21-8-10-22(11-9-21)25(23,24)16-19-6-4-3-5-7-19/h3-7,12-14H,8-11,15-16H2,1-2H3/p+1