1-(2,5-dimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,5-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S/c1-16-8-9-17(2)19(14-16)24(22,23)21-12-10-20(11-13-21)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1