1-(2,5-dimethoxyphenyl)sulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(3,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3,5-dimethylbenzyl)piperazin-4-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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