1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-tosyl-piperazin-1-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C21H28N2O4S/c1-16-5-7-19(8-6-16)28(24,25)23-11-9-22(10-12-23)15-18-14-21(27-4)20(26-3)13-17(18)2/h5-8,13-14H,9-12,15H2,1-4H3/p+1