1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2,5-dimethylbenzyl)piperazin-4-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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