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

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-p-anisyl-piperazin-4-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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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=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-16-4-9-20(17(2)14-16)26(23,24)22-12-10-21(11-13-22)15-18-5-7-19(25-3)8-6-18/h4-9,14H,10-13,15H2,1-3H3/p+1